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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(3-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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N2O2/c20-15-7-6-12(10-14(15)19(21,22)23)17(13-4-3-8-24-11-13)25-9-2-1-5-16(25)18(26)27/h3-4,6-8,10-11,16-17H,1-2,5,9H2,(H,26,27)