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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-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-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-4-oxo-7-(2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-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-quinoline-3-carboxylic acid Formula: C29H23FN2O5 MolecularWeight: 498.501723

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)F)C(=O)O

Isomeric SMILES

C1CC1N2C=C(C(=O)C3=CC(=C(C=C32)C4=CC5=C(CN(C5)C(=O)OCC6=CC=CC=C6)C=C4)F)C(=O)O

InChI

InChI=1S/C29H23FN2O5/c30-25-11-23-26(32(21-8-9-21)15-24(27(23)33)28(34)35)12-22(25)18-6-7-19-13-31(14-20(19)10-18)29(36)37-16-17-4-2-1-3-5-17/h1-7,10-12,15,21H,8-9,13-14,16H2,(H,34,35)