2157 Marvin 12300703363D 60 62 0 0 0 0 999 V2000 1.3661 -4.5172 0.4237 I 0 0 0 0 0 0 0 0 0 0 0 0 0.1287 0.8526 3.0700 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.7830 1.5020 -0.6154 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8066 -1.4443 1.8493 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6424 -2.7661 -0.8278 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1869 -0.2494 1.1184 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3367 1.3332 -0.7209 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6781 0.7165 -0.5834 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0466 -0.6335 -0.3982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1227 2.2835 -1.9240 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4473 -0.6241 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8633 0.7051 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0125 -0.6561 1.9599 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6928 2.8913 -1.9525 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2454 -1.7675 -0.2386 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5255 -0.4934 1.7456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0378 1.0756 0.4267 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9677 -1.4881 1.1815 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4090 -1.6518 -0.2767 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0393 -1.8470 0.4732 C 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7.3133 0.0903 1.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5375 1.8591 1.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9915 1.3871 0.3549 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8302 -1.0582 0.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3430 -2.5054 1.0656 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1335 -2.6322 -0.1993 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5094 2.0335 -0.5392 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6412 4.1050 -3.1664 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0676 4.5347 -3.3399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4336 3.0649 -4.1096 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2068 -2.2561 0.6583 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2495 -2.6459 2.0972 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -2.0814 2.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9592 0.4656 -1.6645 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6049 0.7807 -1.0822 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5095 2.1260 -1.4154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4795 -2.0609 -0.1989 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1790 0.2599 -0.3450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3592 -3.6933 -0.3361 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3305 -0.1714 1.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 4 18 1 0 0 0 0 4 25 1 0 0 0 0 5 15 2 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 9 2 0 0 0 0 9 11 1 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 12 1 0 0 0 0 11 19 2 0 0 0 0 12 21 2 0 0 0 0 13 18 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 22 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 20 1 0 0 0 0 16 23 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 24 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 26 1 0 0 0 0 19 46 1 0 0 0 0 20 28 2 0 0 0 0 20 29 1 0 0 0 0 21 27 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 23 53 1 0 0 0 0 24 54 1 0 0 0 0 24 55 1 0 0 0 0 24 56 1 0 0 0 0 25 30 2 0 0 0 0 25 31 1 0 0 0 0 26 27 2 0 0 0 0 26 57 1 0 0 0 0 27 58 1 0 0 0 0 28 30 1 0 0 0 0 28 59 1 0 0 0 0 29 31 2 0 0 0 0 29 60 1 0 0 0 0 M END > 11 12 8 11 19 8 12 21 8 19 26 8 20 28 8 20 29 8 21 27 8 25 30 8 25 31 8 26 27 8 28 30 8 29 31 8 3 12 8 3 8 8 8 9 8 9 11 8 > InChI=1S/C25H29I2NO3/c1-4-7-11-22-23(18-10-8-9-12-21(18)31-22)24(29)17-15-19(26)25(20(27)16-17)30-14-13-28(5-2)6-3/h8-10,12,15-16H,4-7,11,13-14H2,1-3H3 > IYIKLHRQXLHMJQ-UHFFFAOYSA-N > 1/0/N:22,23,24,14,16,17,10,26,27,19,7,21,13,18,28,29,20,11,30,31,12,8,9,15,25,1,2,6,5,4,3/E:(2,3)(5,6)(15,16)(19,20)(26,27)/rA:60nIIOOONCCCCCCCCCCCCCCCCCCCCCCCCCHHHHHHHHHHHHHHHHHHHHHHHHHHHHH/rB:;;;;;;s3s7;d8;s7;s9;s3s11;s6;s10;d5s9;s6;s6;s4s13;d11;s15;d12;s14;s16;s17;s4;s19;s21d26;d20;s20;s1d25s28;s2s25d29;s7;s7;s10;s10;s13;s13;s14;s14;s16;s16;s17;s17;s18;s18;s19;s21;s22;s22;s22;s23;s23;s23;s24;s24;s24;s26;s27;s28;s29;/rC:1.3661,-4.5172,.4237;.1287,.8526,3.07;-4.783,1.502,-.6154;1.8066,-1.4443,1.8493;-3.6424,-2.7661,-.8278;5.1869,-.2494,1.1184;-2.3367,1.3332,-.7209;-3.6781,.7165,-.5834;-4.0466,-.6335,-.3982;-2.1227,2.2835,-1.924;-5.4473,-.6241,-.3893;-5.8633,.7051,-.4977;4.0125,-.6561,1.9599;-.6928,2.8913,-1.9525;-3.2454,-1.7675,-.2386;6.5255,-.4934,1.7456;5.0378,1.0756,.4267;2.9677,-1.4881,1.1815;-6.409,-1.6518,-.2767;-2.0393,-1.847,.4732;-7.2247,1.0546,-.4751;-.372,3.7018,-3.2251;6.9956,-1.9635,1.6884;5.5663,1.1074,-1.0232;.6173,-1.7376,1.521;-7.7784,-1.32,-.2715;-8.1838,.0277,-.3618;-1.1081,-2.892,.2475;-1.6613,-.8737,1.4303;.1949,-2.8644,.7786;-.3432,-.78,1.9084;-2.1464,1.8886,.2009;-1.5763,.5583,-.8146;-2.8507,3.0984,-1.8823;-2.3,1.7236,-2.8461;4.2968,-1.2594,2.8265;3.5409,.2335,2.3905;-.5608,3.5433,-1.0841;.0517,2.0939,-1.8735;6.5099,-.1638,2.7888;7.3133,.0903,1.2621;5.5375,1.8591,1.0043;3.9915,1.3871,.3549;2.8302,-1.0582,.1844;3.343,-2.5054,1.0656;-6.1335,-2.6322,-.1993;-7.5094,2.0335,-.5392;.6412,4.105,-3.1664;-1.0676,4.5347,-3.3399;-.4336,3.0649,-4.1096;7.2068,-2.2561,.6583;6.2495,-2.6459,2.0972;7.9128,-2.0814,2.27;4.9592,.4656,-1.6645;6.6049,.7807,-1.0822;5.5095,2.126,-1.4154;-8.4795,-2.0609,-.1989;-9.179,.2599,-.345;-1.3592,-3.6933,-.3361;-2.3305,-.1714,1.7523; > C25 H29 I2 N O3 > 645.3116 > IC1C([H])=C(C([H])=C(C=1OC([H])([H])C([H])([H])N(C([H])([H])C([H])([H])[H])C([H])([H])C([H])([H])[H])I)C(C1C2=C([H])C([H])=C([H])C([H])=C2OC=1C([H])([H])C([H])([H])C([H])([H])C([H])([H])[H])=O > 2072 $$$$