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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H22F3NO3 MolecularWeight: 417.42089

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22F3NO3/c1-3-5-6-13(4-2)21-20(23(29)30)22(28)16-11-14(24)7-9-18(16)27(21)19-10-8-15(25)12-17(19)26/h7-13H,3-6H2,1-2H3,(H,29,30)