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

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

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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=CC=NC4=CC=CC=C34

Isomeric SMILES

C1CCN(C(C1)C(=O)O)C(C2=CC(=C(C=C2)Cl)C(F)(F)F)C3=CC=NC4=CC=CC=C34

InChI

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