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

Systemtic Name: 1-cyclopropyl-6-fluoranyl-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylic acid Openeye Name: 7-(2-benzyloxycarbonyl-3-methyl-isoindolin-5-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylic acid Traditional Name: 7-(2-carbobenzoxy-3-methyl-isoindolin-5-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid Formula: C31H27FN2O6 MolecularWeight: 542.554283

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

Isomeric SMILES

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C=C5C(=C4OC)N(C=C(C5=O)C(=O)O)C6CC6)F

InChI

InChI=1S/C31H27FN2O6/c1-17-22-12-19(8-9-20(22)14-33(17)31(38)40-16-18-6-4-3-5-7-18)26-25(32)13-23-27(29(26)39-2)34(21-10-11-21)15-24(28(23)35)30(36)37/h3-9,12-13,15,17,21H,10-11,14,16H2,1-2H3,(H,36,37)