1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[2-(2-pyridyl)-1-[3-(trifluoromethyl)phenyl]ethyl]nipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(CC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

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