1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]isonipecotic acid Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

InChI

InChI=1S/C19H18ClF3N2O2/c20-16-2-1-14(19(21,22)23)11-15(16)17(12-3-7-24-8-4-12)25-9-5-13(6-10-25)18(26)27/h1-4,7-8,11,13,17H,5-6,9-10H2,(H,26,27)