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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-quinolin-4-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-quinolin-4-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-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=CC=NC3=CC=CC=C23)C4=C(C=CC(=C4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=NC3=CC=CC=C23)C4=C(C=CC(=C4)C(F)(F)F)Cl

InChI

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