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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=CC=C2C(F)(F)F)N3CCCCC3C(=O)O

InChI

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