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

Systemtic Name: 1-cyclopropyl-7-(6-fluoranyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(6-fluoroisoindolin-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(6-fluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(6-fluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(6-fluoroisoindolin-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=C2C(=C(C=C3)C4=CC5=C(CNC5)C=C4F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)C4=CC5=C(CNC5)C=C4F)C(F)(F)F)C(=O)O

InChI

InChI=1S/C22H16F4N2O3/c23-17-6-11-8-27-7-10(11)5-15(17)13-3-4-14-19(18(13)22(24,25)26)28(12-1-2-12)9-16(20(14)29)21(30)31/h3-6,9,12,27H,1-2,7-8H2,(H,30,31)