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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-(2,4-difluorophenyl)-6-fluoro-2-heptan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-(2,4-difluorophenyl)-2-(1-ethylpentyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C23H21ClF3NO3 MolecularWeight: 451.86595

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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)Cl)F)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClF3NO3/c1-3-5-6-12(4-2)20-19(23(30)31)22(29)15-9-14(26)10-16(24)21(15)28(20)18-8-7-13(25)11-17(18)27/h7-12H,3-6H2,1-2H3,(H,30,31)