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

Systemtic Name: 1-[2,4-bis(fluoranyl)phenyl]-6-fluoranyl-2-hexan-3-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-(2,4-difluorophenyl)-2-(1-ethylbutyl)-6-fluoro-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-(2,4-difluorophenyl)-6-fluoro-2-hexan-3-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-(2,4-difluorophenyl)-6-fluoro-2-hexan-3-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-(2,4-difluorophenyl)-2-(1-ethylbutyl)-6-fluoro-4-keto-quinoline-3-carboxylic acid Formula: C22H20F3NO3 MolecularWeight: 403.39431

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCC(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/C22H20F3NO3/c1-3-5-12(4-2)20-19(22(28)29)21(27)15-10-13(23)6-8-17(15)26(20)18-9-7-14(24)11-16(18)25/h6-12H,3-5H2,1-2H3,(H,28,29)