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

Systemtic Name: 3-azanyl-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 3-amino-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid CAS Name: 3-amino-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-amino-6-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]cinchoninic acid Formula: C18H10F6N2O2 MolecularWeight: 400.274619

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)C(F)(F)F)C(=O)O)N)C(F)(F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C(=C3C=C(C=CC3=N2)C(F)(F)F)C(=O)O)N)C(F)(F)F

InChI

InChI=1S/C18H10F6N2O2/c19-17(20,21)9-3-1-8(2-4-9)15-14(25)13(16(27)28)11-7-10(18(22,23)24)5-6-12(11)26-15/h1-7H,25H2,(H,27,28)