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

Systemtic Name: methyl 1-(3-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(3-benzyloxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(3-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(3-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(3-benzoxyphenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C26H24N2O3 MolecularWeight: 412.48036

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)OCC4=CC=CC=C4)NC5=CC=CC=C25

Isomeric SMILES

COC(=O)C1CC2=C(C(N1)C3=CC(=CC=C3)OCC4=CC=CC=C4)NC5=CC=CC=C25

InChI

InChI=1S/C26H24N2O3/c1-30-26(29)23-15-21-20-12-5-6-13-22(20)27-25(21)24(28-23)18-10-7-11-19(14-18)31-16-17-8-3-2-4-9-17/h2-14,23-24,27-28H,15-16H2,1H3