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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-quinolin-4-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-quinolin-4-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(4-quinolyl)methyl]proline Formula: C22H18ClF3N2O2 MolecularWeight: 434.83873

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=CC=NC3=CC=CC=C23)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

InChI

InChI=1S/C22H18ClF3N2O2/c23-17-8-7-13(22(24,25)26)12-16(17)20(28-11-3-6-19(28)21(29)30)15-9-10-27-18-5-2-1-4-14(15)18/h1-2,4-5,7-10,12,19-20H,3,6,11H2,(H,29,30)