1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-pyridyl)methyl]nipecotic acid Formula: C19H18ClF3N2O2 MolecularWeight: 398.80663

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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