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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonylisoindolin-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)quinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxyisoindolin-5-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C30H25FN2O6 MolecularWeight: 528.527703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C2C(=CC(=C1C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)F)C(=O)C(=CN2C6CC6)C(=O)O

Isomeric SMILES

COC1=C2C(=CC(=C1C3=CC4=C(CN(C4)C(=O)OCC5=CC=CC=C5)C=C3)F)C(=O)C(=CN2C6CC6)C(=O)O

InChI

InChI=1S/C30H25FN2O6/c1-38-28-25(24(31)12-22-26(28)33(21-9-10-21)15-23(27(22)34)29(35)36)18-7-8-19-13-32(14-20(19)11-18)30(37)39-16-17-5-3-2-4-6-17/h2-8,11-12,15,21H,9-10,13-14,16H2,1H3,(H,35,36)