1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-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=CN=CC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

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

InChI

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