methyl (1R,3S)-1-cyclohexyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl (1R,3S)-1-cyclohexyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl (1R,3S)-2-benzyl-1-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: (1R,3S)-1-cyclohexyl-9-methyl-2-(phenylmethyl)-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl (1R,3S)-2-benzyl-1-cyclohexyl-9-methyl-3,4-dihydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: (1R,3S)-2-benzyl-1-cyclohexyl-9-methyl-3,4-dihydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=CC=CC=C2C3=C1C(N(C(C3)C(=O)OC)CC4=CC=CC=C4)C5CCCCC5

Isomeric SMILES

CN1C2=CC=CC=C2C3=C1[C@H](N([C@@H](C3)C(=O)OC)CC4=CC=CC=C4)C5CCCCC5

InChI

InChI=1S/C27H32N2O2/c1-28-23-16-10-9-15-21(23)22-17-24(27(30)31-2)29(18-19-11-5-3-6-12-19)25(26(22)28)20-13-7-4-8-14-20/h3,5-6,9-12,15-16,20,24-25H,4,7-8,13-14,17-18H2,1-2H3/t24-,25+/m0/s1