1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-(1H-indol-3-yl)methyl]isonipecotic acid Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O)OC

InChI

InChI=1S/C23H26N2O4/c1-28-20-8-7-16(13-21(20)29-2)22(25-11-9-15(10-12-25)23(26)27)18-14-24-19-6-4-3-5-17(18)19/h3-8,13-15,22,24H,9-12H2,1-2H3,(H,26,27)