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

Systemtic Name: ethyl 8-chloranyl-6-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Openeye Name: ethyl 7-(2-benzyloxycarbonylisoindolin-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-quinoline-3-carboxylate CAS Name: 8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylate Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C31H25ClF2N2O5 MolecularWeight: 578.990406

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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)Cl)C6CC6F

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)Cl)C6CC6F

InChI

InChI=1S/C31H25ClF2N2O5/c1-2-40-30(38)22-15-36(25-12-23(25)33)28-21(29(22)37)11-24(34)26(27(28)32)18-8-9-19-13-35(14-20(19)10-18)31(39)41-16-17-6-4-3-5-7-17/h3-11,15,23,25H,2,12-14,16H2,1H3