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

Systemtic Name: 1-[pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[4-pyridyl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-4-yl-[4-(trifluoromethyl)phenyl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[4-pyridyl-[4-(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=C(C=C2)C(F)(F)F)C3=CC=NC=C3)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C19H19F3N2O2/c20-19(21,22)16-5-3-13(4-6-16)17(14-7-9-23-10-8-14)24-11-1-2-15(12-24)18(25)26/h3-10,15,17H,1-2,11-12H2,(H,25,26)