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

Systemtic Name: 1-[pyridin-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-pyridyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[pyridin-4-yl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-pyridyl-[3-(trifluoromethyl)phenyl]methyl]nipecotic acid Formula: C19H19F3N2O2 MolecularWeight: 364.36157

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC=NC=C2)C3=CC(=CC=C3)C(F)(F)F)C(=O)O

InChI

InChI=1S/C19H19F3N2O2/c20-19(21,22)16-5-1-3-14(11-16)17(13-6-8-23-9-7-13)24-10-2-4-15(12-24)18(25)26/h1,3,5-9,11,15,17H,2,4,10,12H2,(H,25,26)