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

Systemtic Name: 1-cyclopropyl-7-(4-fluoranyl-2,3-dihydro-1H-isoindol-5-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-(4-fluoroisoindolin-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(4-fluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(4-fluoro-2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-(4-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=C(C5=C(CNC5)C=C4)F)C(F)(F)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=C2C(=C(C=C3)C4=C(C5=C(CNC5)C=C4)F)C(F)(F)F)C(=O)O

InChI

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