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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=CC=N3)C(=O)O

InChI

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