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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)C(F)(F)F)N3CCCCC3C(=O)O

InChI

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