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

Systemtic Name: 3-azanyl-6-fluoranyl-2-[3-fluoranyl-4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid Openeye Name: 3-amino-6-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid CAS Name: 3-amino-6-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 3-amino-6-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]quinoline-4-carboxylic acid Traditional Name: 3-amino-6-fluoro-2-[3-fluoro-4-(4-fluorophenyl)phenyl]cinchoninic acid Formula: C22H13F3N2O2 MolecularWeight: 394.34603

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N)F)F

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=C(C=C2)C3=C(C(=C4C=C(C=CC4=N3)F)C(=O)O)N)F)F

InChI

InChI=1S/C22H13F3N2O2/c23-13-4-1-11(2-5-13)15-7-3-12(9-17(15)25)21-20(26)19(22(28)29)16-10-14(24)6-8-18(16)27-21/h1-10H,26H2,(H,28,29)