1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoranyl-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-6-fluoro-7-isoindolin-5-yl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-6-fluoro-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-6-fluoro-7-isoindolin-5-yl-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C22H16F4N2O3 MolecularWeight: 432.367653

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)C4=CC5=C(CNC5)C=C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C(=C32)C(F)(F)F)C4=CC5=C(CNC5)C=C4)F)C(=O)O

InChI

InChI=1S/C22H16F4N2O3/c23-16-6-14-19(28(13-3-4-13)9-15(20(14)29)21(30)31)18(22(24,25)26)17(16)10-1-2-11-7-27-8-12(11)5-10/h1-2,5-6,9,13,27H,3-4,7-8H2,(H,30,31)