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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-quinolin-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-quinolin-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]nipecotic acid Formula: C23H20ClF3N2O2 MolecularWeight: 448.86531

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=NC4=CC=CC=C4C=C3)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=NC4=CC=CC=C4C=C3)C(=O)O

InChI

InChI=1S/C23H20ClF3N2O2/c24-18-9-7-15(12-17(18)23(25,26)27)21(29-11-3-5-16(13-29)22(30)31)20-10-8-14-4-1-2-6-19(14)28-20/h1-2,4,6-10,12,16,21H,3,5,11,13H2,(H,30,31)