1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-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=NC=C2)C3=C(C=CC(=C3)C(F)(F)F)Cl

Isomeric SMILES

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

InChI

InChI=1S/C19H18ClF3N2O2/c20-15-5-4-13(19(21,22)23)11-14(15)17(12-6-8-24-9-7-12)25-10-2-1-3-16(25)18(26)27/h4-9,11,16-17H,1-3,10H2,(H,26,27)