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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-8-chloranyl-6-fluoranyl-2-octan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 8-chloro-1-(2,4-difluorophenyl)-2-(1-ethylhexyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-1-(2,4-difluorophenyl)-6-fluoro-2-octan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-1-(2,4-difluorophenyl)-6-fluoro-2-octan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 8-chloro-1-(2,4-difluorophenyl)-2-(1-ethylhexyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C24H23ClF3NO3 MolecularWeight: 465.89253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23ClF3NO3/c1-3-5-6-7-13(4-2)21-20(24(31)32)23(30)16-10-15(27)11-17(25)22(16)29(21)19-9-8-14(26)12-18(19)28/h8-13H,3-7H2,1-2H3,(H,31,32)