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

Systemtic Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxidanylidene-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 1-cyclopropyl-7-isoindolin-5-yl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-7-(2,3-dihydro-1H-isoindol-5-yl)-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 1-cyclopropyl-7-isoindolin-5-yl-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C22H17F3N2O3 MolecularWeight: 414.37719

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17F3N2O3/c23-22(24,25)18-15(11-1-2-12-8-26-9-13(12)7-11)5-6-16-19(18)27(14-3-4-14)10-17(20(16)28)21(29)30/h1-2,5-7,10,14,26H,3-4,8-9H2,(H,29,30)