1-cyclopropyl-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-6-fluoranyl-2-heptan-3-yl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-2-(1-ethylpentyl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-2-heptan-3-yl-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-2-heptan-3-yl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-2-(1-ethylpentyl)-6-fluoro-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C21H23F4NO3 MolecularWeight: 413.405833

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)C(F)(F)F)F)C(=O)O

Isomeric SMILES

CCCCC(CC)C1=C(C(=O)C2=CC(=CC(=C2N1C3CC3)C(F)(F)F)F)C(=O)O

InChI

InChI=1S/C21H23F4NO3/c1-3-5-6-11(4-2)17-16(20(28)29)19(27)14-9-12(22)10-15(21(23,24)25)18(14)26(17)13-7-8-13/h9-11,13H,3-8H2,1-2H3,(H,28,29)