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

Systemtic Name: 1-[1H-indol-3-yl-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[1H-indol-3-yl(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[1H-indol-3-yl-(3-methylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1H-indol-3-yl-(3-methylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[1H-indol-3-yl(m-tolyl)methyl]isonipecotic acid Formula: C22H24N2O2 MolecularWeight: 348.43816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CNC3=CC=CC=C32)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C22H24N2O2/c1-15-5-4-6-17(13-15)21(24-11-9-16(10-12-24)22(25)26)19-14-23-20-8-3-2-7-18(19)20/h2-8,13-14,16,21,23H,9-12H2,1H3,(H,25,26)