ethyl 1-cyclopropyl-6-fluoranyl-8-(fluoranylmethyl)-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-(fluoranylmethyl)-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Openeye Name: ethyl 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-6-fluoro-8-(fluoromethyl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C32H28F2N2O5 MolecularWeight: 558.571926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)CF)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)CF)C6CC6

InChI

InChI=1S/C32H28F2N2O5/c1-2-40-31(38)26-17-36(23-10-11-23)29-24(30(26)37)13-27(34)28(25(29)14-33)20-8-9-21-15-35(16-22(21)12-20)32(39)41-18-19-6-4-3-5-7-19/h3-9,12-13,17,23H,2,10-11,14-16,18H2,1H3