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

Systemtic Name: ethyl 1-cyclopropyl-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylate Openeye Name: ethyl 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-4-oxo-8-(trifluoromethyl)quinoline-3-carboxylate CAS Name: 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-8-(trifluoromethyl)quinoline-3-carboxylate Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-4-keto-8-(trifluoromethyl)quinoline-3-carboxylic acid ethyl ester Formula: C32H27F3N2O5 MolecularWeight: 576.56239

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C(F)(F)F)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2C(F)(F)F)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)C6CC6

InChI

InChI=1S/C32H27F3N2O5/c1-2-41-30(39)26-17-37(23-10-11-23)28-25(29(26)38)13-12-24(27(28)32(33,34)35)20-8-9-21-15-36(16-22(21)14-20)31(40)42-18-19-6-4-3-5-7-19/h3-9,12-14,17,23H,2,10-11,15-16,18H2,1H3