methyl 1-(3-methoxy-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(3-methoxy-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(4-benzyloxy-3-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-methoxy-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-methoxy-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(4-benzoxy-3-methoxy-phenyl)-2,3,4,9-tetrahydro-1H-$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=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OCC5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26N2O4/c1-31-24-14-18(12-13-23(24)33-16-17-8-4-3-5-9-17)25-26-20(15-22(29-25)27(30)32-2)19-10-6-7-11-21(19)28-26/h3-14,22,25,28-29H,15-16H2,1-2H3