3-azanyl-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid

Systemtic Name: 3-azanyl-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid Openeye Name: 3-amino-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid CAS Name: 3-amino-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)-4-quinolinecarboxylic acid IUPAC Name: 3-amino-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)quinoline-4-carboxylic acid Traditional Name: 3-amino-2-[4-(2-fluorophenyl)phenyl]-6-(trifluoromethyl)cinchoninic acid Formula: C23H14F4N2O2 MolecularWeight: 426.363073

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)C(F)(F)F)C(=O)O)N)F

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)C(F)(F)F)C(=O)O)N)F

InChI

InChI=1S/C23H14F4N2O2/c24-17-4-2-1-3-15(17)12-5-7-13(8-6-12)21-20(28)19(22(30)31)16-11-14(23(25,26)27)9-10-18(16)29-21/h1-11H,28H2,(H,30,31)