16759686 -OEChem-03282414532D 64 68 0 1 0 0 0 0 0999 V2000 7.0693 -0.5923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 -2.0923 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2032 0.9077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0693 -2.3244 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3218 3.4352 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0538 -3.6264 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 -0.6131 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -2.3244 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -0.5923 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 -0.5923 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.8013 -0.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 -1.0923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8013 0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0693 0.4077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 0.9077 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6953 -1.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5693 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6013 0.4285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6953 0.9424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4654 -1.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4654 0.9319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 -2.1164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3334 -0.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5693 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1936 -2.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3256 -2.6198 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1975 -1.1231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4616 1.9318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5693 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0577 -2.6264 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3256 2.4352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0693 -0.5923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0693 -2.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5693 -1.4583 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5624 -3.2344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5278 -1.4423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5208 -3.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3403 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1859 3.9385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9353 1.5277 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6881 -1.7469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0323 -1.1483 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2593 -1.9953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1062 -1.7683 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6881 1.5623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0035 0.6239 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 -2.4244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3357 0.0002 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3233 -3.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7356 -0.8152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9234 2.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.6678 -2.7365 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2720 -2.0447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5399 1.8534 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9358 2.5452 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3793 -0.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8786 -3.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2240 -0.9018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.5896 -3.9385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2129 -3.7805 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3800 -2.3379 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4980 3.4028 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7216 4.2506 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8738 4.4742 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 24 1 0 0 0 0 2 12 2 0 0 0 0 3 14 2 0 0 0 0 4 24 2 0 0 0 0 5 31 1 0 0 0 0 5 39 1 0 0 0 0 6 30 1 0 0 0 0 6 59 1 0 0 0 0 7 16 1 0 0 0 0 7 18 1 0 0 0 0 7 20 1 0 0 0 0 8 29 2 0 0 0 0 8 33 1 0 0 0 0 9 32 2 0 0 0 0 9 34 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 17 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 2 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 15 40 1 0 0 0 0 16 41 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 19 2 0 0 0 0 18 21 1 0 0 0 0 19 45 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 28 2 0 0 0 0 21 46 1 0 0 0 0 22 26 1 0 0 0 0 22 47 1 0 0 0 0 23 27 2 0 0 0 0 23 48 1 0 0 0 0 24 29 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 30 1 0 0 0 0 26 49 1 0 0 0 0 27 50 1 0 0 0 0 28 31 1 0 0 0 0 28 51 1 0 0 0 0 29 32 1 0 0 0 0 30 52 1 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 33 34 1 0 0 0 0 33 35 2 0 0 0 0 34 36 2 0 0 0 0 35 37 1 0 0 0 0 35 57 1 0 0 0 0 36 38 1 0 0 0 0 36 58 1 0 0 0 0 37 38 2 0 0 0 0 37 60 1 0 0 0 0 38 61 1 0 0 0 0 39 62 1 0 0 0 0 39 63 1 0 0 0 0 39 64 1 0 0 0 0 M END > 16759686 > 1 > 1100 > 9 > 1 > 8 > AAADceB7OAAAAAAAAAAAAAAAAAAAAAAAAAA8YIECAAAAAACx9AAAHgAACAAADEzhngY+yLMIFgCoA7T3TAaCgCQ3EiAI2CH4fNgKdvrIsb2XcIhmwAHY+ceY2CMOCAAAAAAAACAQAAAAAAAAQAAAAAAAAA== > [2-[4-(hydroxymethyl)phenyl]-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolyl] quinoxaline-2-carboxylate > 2-quinoxalinecarboxylic acid [2-[4-(hydroxymethyl)phenyl]-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxo-7-isoquinolinyl] ester > [2-[4-(hydroxymethyl)phenyl]-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate > [2-[4-(hydroxymethyl)phenyl]-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-dioxoisoquinolin-7-yl] quinoxaline-2-carboxylate > [2-[4-(hydroxymethyl)phenyl]-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-6,8-bis(oxidanylidene)isoquinolin-7-yl] quinoxaline-2-carboxylate > quinoxaline-2-carboxylic acid [6,8-diketo-3-[(E)-3-methoxyprop-1-enyl]-7-methyl-2-(4-methylolphenyl)-7-isoquinolyl] ester > InChI=1S/C30H25N3O6/c1-30(39-29(37)26-16-31-24-7-3-4-8-25(24)32-26)27(35)15-20-14-22(6-5-13-38-2)33(17-23(20)28(30)36)21-11-9-19(18-34)10-12-21/h3-12,14-17,34H,13,18H2,1-2H3/b6-5+ > VSXASDKXBXDALE-AATRIKPKSA-N > 2.7 > 523.17433553 > C30H25N3O6 > 523.5 > CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=C(C=C3)CO)C=CCOC)OC(=O)C4=NC5=CC=CC=C5N=C4 > CC1(C(=O)C=C2C=C(N(C=C2C1=O)C3=CC=C(C=C3)CO)/C=C/COC)OC(=O)C4=NC5=CC=CC=C5N=C4 > 119 > 523.17433553 > 0 > 39 > 0 > 1 > 1 > 0 > 0 > 1 > -1 > 1 5 255 > 10 17 3 20 22 8 20 23 8 22 26 8 23 27 8 25 26 8 25 27 8 29 32 8 33 34 8 33 35 8 34 36 8 35 37 8 36 38 8 37 38 8 8 29 8 8 33 8 9 32 8 9 34 8 $$$$