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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-2-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-2-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-pyridyl)methyl]pipecolinic acid Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3

InChI

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