1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-8-methyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-8-methyl-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-6-fluoro-4-keto-8-methyl-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C25H26F3NO3 MolecularWeight: 445.47405

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C3=C(C=C(C=C3)F)F)C)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C3=C(C=C(C=C3)F)F)C)F)C(=O)O

InChI

InChI=1S/C25H26F3NO3/c1-4-5-6-7-8-14(2)23-21(25(31)32)24(30)18-12-17(27)11-15(3)22(18)29(23)20-10-9-16(26)13-19(20)28/h9-14H,4-8H2,1-3H3,(H,31,32)