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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-quinolin-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-quinolin-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]isonipecotic acid Formula: C23H20ClF3N2O2 MolecularWeight: 448.86531

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

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