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

Systemtic Name: 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-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-8-(difluoromethoxy)-4-oxo-quinoline-3-carboxylic acid CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(3-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid IUPAC Name: 1-cyclopropyl-8-(difluoromethoxy)-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-8-(difluoromethoxy)-4-keto-quinoline-3-carboxylic acid Formula: C31H26F2N2O6 MolecularWeight: 560.544746

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Descriptors Computed from Structure

Canonical SMILES:

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC(F)F

Isomeric SMILES

CC1C2=C(CN1C(=O)OCC3=CC=CC=C3)C=CC(=C2)C4=C(C5=C(C=C4)C(=O)C(=CN5C6CC6)C(=O)O)OC(F)F

InChI

InChI=1S/C31H26F2N2O6/c1-17-24-13-19(7-8-20(24)14-34(17)31(39)40-16-18-5-3-2-4-6-18)22-11-12-23-26(28(22)41-30(32)33)35(21-9-10-21)15-25(27(23)36)29(37)38/h2-8,11-13,15,17,21,30H,9-10,14,16H2,1H3,(H,37,38)