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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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