1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid

Systemtic Name: 1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylic acid Traditional Name: 7-(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(=C(C=C3)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)C(F)(F)F)C(=O)O

Isomeric SMILES

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

InChI

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