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

Systemtic Name: 1-[[2-chloranyl-5-(trifluoromethyl)phenyl]-quinolin-2-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-(2-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[[2-chloro-5-(trifluoromethyl)phenyl]-quinolin-2-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[2-chloro-5-(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=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

Isomeric SMILES

C1CC(N(C1)C(C2=NC3=CC=CC=C3C=C2)C4=C(C=CC(=C4)C(F)(F)F)Cl)C(=O)O

InChI

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