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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCC(C3)C(=O)O

InChI

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