methyl (4aR,5R,12bS)-5-[(1S,2S)-2-(acetyloxymethyl)cyclohexyl]-4-(phenylmethyl)-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylate

Systemtic Name: methyl (4aR,5R,12bS)-5-[(1S,2S)-2-(acetyloxymethyl)cyclohexyl]-4-(phenylmethyl)-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylate Openeye Name: methyl (4aR,5R,12bS)-5-[(1S,2S)-2-(acetoxymethyl)cyclohexyl]-4-benzyl-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylate CAS Name: (4aR,5R,12bS)-5-[(1S,2S)-2-(acetyloxymethyl)cyclohexyl]-4-(phenylmethyl)-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylic acid methyl ester IUPAC Name: methyl (4aR,5R,12bS)-5-[(1S,2S)-2-(acetyloxymethyl)cyclohexyl]-4-benzyl-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylate Traditional Name: (4aR,5R,12bS)-5-[(1S,2S)-2-(acetoxymethyl)cyclohexyl]-4-benzyl-2,3,4a,5,6,8-hexahydro-1H-pyrido[2,3-d]carbazole-7-carboxylic acid methyl ester Formula: C33H40N2O4 MolecularWeight: 528.6817

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OCC1CCCCC1C2CC(=C3C4(C2N(CCC4)CC5=CC=CC=C5)C6=CC=CC=C6N3)C(=O)OC

Isomeric SMILES

CC(=O)OC[C@H]1CCCC[C@H]1[C@H]2CC(=C3[C@]4([C@@H]2N(CCC4)CC5=CC=CC=C5)C6=CC=CC=C6N3)C(=O)OC

InChI

InChI=1S/C33H40N2O4/c1-22(36)39-21-24-13-6-7-14-25(24)26-19-27(32(37)38-2)30-33(28-15-8-9-16-29(28)34-30)17-10-18-35(31(26)33)20-23-11-4-3-5-12-23/h3-5,8-9,11-12,15-16,24-26,31,34H,6-7,10,13-14,17-21H2,1-2H3/t24-,25-,26-,31-,33-/m1/s1