1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[1-(p-tolylmethyl)indol-2-yl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[[1-[(4-methylphenyl)methyl]-2-indolyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[1-[(4-methylphenyl)methyl]indol-2-yl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[1-(4-methylbenzyl)indol-2-yl]methyl]isonipecotic acid Formula: C23H26N2O2 MolecularWeight: 362.46474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=CC=CC=C3C=C2CN4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H26N2O2/c1-17-6-8-18(9-7-17)15-25-21(14-20-4-2-3-5-22(20)25)16-24-12-10-19(11-13-24)23(26)27/h2-9,14,19H,10-13,15-16H2,1H3,(H,26,27)