methyl 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate CAS Name: 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydropyrido[3,4-b]indole-3-carboxylate Traditional Name: 6,7-dimethoxy-1,1-diphenyl-2,3,4,9-tetrahydro-$b-carboline-3-carboxylic acid methyl ester Formula: C27H26N2O4 MolecularWeight: 442.50634

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C3=C(N2)C(NC(C3)C(=O)OC)(C4=CC=CC=C4)C5=CC=CC=C5)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C3=C(N2)C(NC(C3)C(=O)OC)(C4=CC=CC=C4)C5=CC=CC=C5)OC

InChI

InChI=1S/C27H26N2O4/c1-31-23-15-19-20-14-22(26(30)33-3)29-27(17-10-6-4-7-11-17,18-12-8-5-9-13-18)25(20)28-21(19)16-24(23)32-2/h4-13,15-16,22,28-29H,14H2,1-3H3