1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-[3-(trifluoromethyl)phenyl]ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-[3-(trifluoromethyl)phenyl]ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-pyridyl)-1-[3-(trifluoromethyl)phenyl]ethyl]isonipecotic acid Formula: C20H21F3N2O2 MolecularWeight: 378.38815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)O)C(CC2=CC=CC=N2)C3=CC(=CC=C3)C(F)(F)F

InChI

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