1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C24H24F3NO3 MolecularWeight: 431.44747

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=C(N1C3=C(C=C(C=C3)F)F)C=CC(=C2)F)C(=O)O

InChI

InChI=1S/C24H24F3NO3/c1-3-4-5-6-7-14(2)22-21(24(30)31)23(29)17-12-15(25)8-10-19(17)28(22)20-11-9-16(26)13-18(20)27/h8-14H,3-7H2,1-2H3,(H,30,31)