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

Systemtic Name: 1-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[3-pyridyl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[3-pyridinyl-[3-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-3-yl-[3-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[3-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(=CC=C2)C(F)(F)F)C3=CN=CC=C3)C(=O)O

Isomeric SMILES

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

InChI

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