1-cyclopropyl-4-oxidanylidene-2-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-2-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 2-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-2-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-oxo-2-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 2-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid Formula: C30H23F3N2O5 MolecularWeight: 548.50923

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=C(C(=O)C3=C2C(=CC=C3)C(F)(F)F)C(=O)O)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4

Isomeric SMILES

C1CC1N2C(=C(C(=O)C3=C2C(=CC=C3)C(F)(F)F)C(=O)O)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4

InChI

InChI=1S/C30H23F3N2O5/c31-30(32,33)23-8-4-7-22-26(23)35(21-11-12-21)25(24(27(22)36)28(37)38)18-9-10-19-14-34(15-20(19)13-18)29(39)40-16-17-5-2-1-3-6-17/h1-10,13,21H,11-12,14-16H2,(H,37,38)