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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC(=CC=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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