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

Systemtic Name: 1-[[4-chloranyl-3-(trifluoromethyl)phenyl]-quinolin-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-quinolin-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-chloro-3-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]proline Formula: C22H18ClF3N2O2 MolecularWeight: 434.83873

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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