methyl 1-(5-methoxy-2-methyl-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate

Systemtic Name: methyl 1-(5-methoxy-2-methyl-4-phenylmethoxy-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Openeye Name: methyl 1-(4-benzyloxy-5-methoxy-2-methyl-phenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate CAS Name: 1-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylic acid methyl ester IUPAC Name: methyl 1-(5-methoxy-2-methyl-4-phenylmethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate Traditional Name: 1-(4-benzoxy-5-methoxy-2-methyl-phenyl)-2,3,4,9-tetrahydro-1H-$b-carboline-3-carboxylic acid methyl ester Formula: C28H28N2O4 MolecularWeight: 456.53292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OC)OCC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=C(C=C1C2C3=C(CC(N2)C(=O)OC)C4=CC=CC=C4N3)OC)OCC5=CC=CC=C5

InChI

InChI=1S/C28H28N2O4/c1-17-13-25(34-16-18-9-5-4-6-10-18)24(32-2)15-20(17)26-27-21(14-23(30-26)28(31)33-3)19-11-7-8-12-22(19)29-27/h4-13,15,23,26,29-30H,14,16H2,1-3H3