1-(4-chlorophenyl)carbonyl-6-(3-methylphenyl)piperidine-3-carboxylic acid

Systemtic Name: 1-(4-chlorophenyl)carbonyl-6-(3-methylphenyl)piperidine-3-carboxylic acid Openeye Name: 1-(4-chlorobenzoyl)-6-(m-tolyl)piperidine-3-carboxylic acid CAS Name: 1-[(4-chlorophenyl)-oxomethyl]-6-(3-methylphenyl)-3-piperidinecarboxylic acid IUPAC Name: 1-(4-chlorobenzoyl)-6-(3-methylphenyl)piperidine-3-carboxylic acid Traditional Name: 1-(4-chlorobenzoyl)-6-(m-tolyl)nipecotic acid Formula: C20H20ClNO3 MolecularWeight: 357.8307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC1=CC=CC(=C1)C2CCC(CN2C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C20H20ClNO3/c1-13-3-2-4-15(11-13)18-10-7-16(20(24)25)12-22(18)19(23)14-5-8-17(21)9-6-14/h2-6,8-9,11,16,18H,7,10,12H2,1H3,(H,24,25)