1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylic acid

Systemtic Name: 1-(phenylmethyl)-4-[[3-(trifluoromethyl)phenyl]amino]piperidine-4-carboxylic acid Openeye Name: 1-benzyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylic acid CAS Name: 1-(phenylmethyl)-4-[3-(trifluoromethyl)anilino]-4-piperidinecarboxylic acid IUPAC Name: 1-benzyl-4-[3-(trifluoromethyl)anilino]piperidine-4-carboxylic acid Traditional Name: 1-benzyl-4-[3-(trifluoromethyl)anilino]isonipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1(C(=O)O)NC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1(C(=O)O)NC2=CC=CC(=C2)C(F)(F)F)CC3=CC=CC=C3

InChI

InChI=1S/C20H21F3N2O2/c21-20(22,23)16-7-4-8-17(13-16)24-19(18(26)27)9-11-25(12-10-19)14-15-5-2-1-3-6-15/h1-8,13,24H,9-12,14H2,(H,26,27)