1-[(2-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Openeye Name: 1-[o-tolyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-[3-(trifluoromethyl)phenyl]methyl]piperidine-4-carboxylic acid Traditional Name: 1-[o-tolyl-[3-(trifluoromethyl)phenyl]methyl]isonipecotic acid Formula: C21H22F3NO2 MolecularWeight: 377.40009

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC(=CC=C2)C(F)(F)F)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H22F3NO2/c1-14-5-2-3-8-18(14)19(25-11-9-15(10-12-25)20(26)27)16-6-4-7-17(13-16)21(22,23)24/h2-8,13,15,19H,9-12H2,1H3,(H,26,27)