methyl 1-(4-methoxy-5-oxidanyl-cyclohex-2-en-1-yl)-9H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(4-methoxy-5-oxidanyl-cyclohex-2-en-1-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(5-hydroxy-4-methoxy-cyclohex-2-en-1-yl)-9H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(5-hydroxy-4-methoxy-1-cyclohex-2-enyl)-9H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(5-hydroxy-4-methoxycyclohex-2-en-1-yl)-9H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(5-hydroxy-4-methoxy-cyclohex-2-en-1-yl)-9H-$b-carboline-3-carboxylic acid methyl ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC1C=CC(CC1O)C2=C3C(=CC(=N2)C(=O)OC)C4=CC=CC=C4N3

Isomeric SMILES

COC1C=CC(CC1O)C2=C3C(=CC(=N2)C(=O)OC)C4=CC=CC=C4N3

InChI

InChI=1S/C20H20N2O4/c1-25-17-8-7-11(9-16(17)23)18-19-13(10-15(22-18)20(24)26-2)12-5-3-4-6-14(12)21-19/h3-8,10-11,16-17,21,23H,9H2,1-2H3