2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylic acid

Systemtic Name: 2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylic acid Openeye Name: 2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylic acid CAS Name: 2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]-4-quinolinecarboxylic acid IUPAC Name: 2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]quinoline-4-carboxylic acid Traditional Name: 2-(4-chlorophenyl)-3-[3-(trifluoromethyl)phenoxy]cinchoninic acid Formula: C23H13ClF3NO3 MolecularWeight: 443.80243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)Cl)OC4=CC=CC(=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=N2)C3=CC=C(C=C3)Cl)OC4=CC=CC(=C4)C(F)(F)F)C(=O)O

InChI

InChI=1S/C23H13ClF3NO3/c24-15-10-8-13(9-11-15)20-21(31-16-5-3-4-14(12-16)23(25,26)27)19(22(29)30)17-6-1-2-7-18(17)28-20/h1-12H,(H,29,30)