8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-6-fluoranyl-2-octan-2-yl-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-2-(1-methylheptyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-2-octan-2-yl-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-2-octan-2-yl-4-oxoquinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-8-(difluoromethoxy)-6-fluoro-4-keto-2-(1-methylheptyl)quinoline-3-carboxylic acid Formula: C22H26F3NO4 MolecularWeight: 425.44135

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)OC(F)F)F)C(=O)O

Isomeric SMILES

CCCCCCC(C)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)OC(F)F)F)C(=O)O

InChI

InChI=1S/C22H26F3NO4/c1-3-4-5-6-7-12(2)18-17(21(28)29)20(27)15-10-13(23)11-16(30-22(24)25)19(15)26(18)14-8-9-14/h10-12,14,22H,3-9H2,1-2H3,(H,28,29)