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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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