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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-heptan-3-yl-8-methyl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-8-methyl-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-8-methyl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-8-methyl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-keto-8-methyl-quinoline-3-carboxylic acid Formula: C24H24F3NO3 MolecularWeight: 431.44747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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