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

Systemtic Name: 8-chloranyl-6-fluoranyl-1-(2-fluoranylcyclopropyl)-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonylisoindolin-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-quinoline-3-carboxylic acid CAS Name: 8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid IUPAC Name: 8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-8-chloro-6-fluoro-1-(2-fluorocyclopropyl)-4-keto-quinoline-3-carboxylic acid Formula: C29H21ClF2N2O5 MolecularWeight: 550.937246

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(C1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)F)C(=O)O

Isomeric SMILES

C1C(C1F)N2C=C(C(=O)C3=CC(=C(C(=C32)Cl)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)F)C(=O)O

InChI

InChI=1S/C29H21ClF2N2O5/c30-25-24(22(32)9-19-26(25)34(23-10-21(23)31)13-20(27(19)35)28(36)37)16-6-7-17-11-33(12-18(17)8-16)29(38)39-14-15-4-2-1-3-5-15/h1-9,13,21,23H,10-12,14H2,(H,36,37)