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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-heptan-3-yl-8-methoxy-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-8-methoxy-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-8-methoxy-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C24H24F3NO4 MolecularWeight: 447.44687

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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)OC)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C24H24F3NO4/c1-4-6-7-13(5-2)21-20(24(30)31)23(29)16-10-15(26)12-19(32-3)22(16)28(21)18-9-8-14(25)11-17(18)27/h8-13H,4-7H2,1-3H3,(H,30,31)