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

Systemtic Name: ethyl 8-[bis(fluoranyl)methoxy]-1-cyclopropyl-7-(1-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxidanylidene-quinoline-3-carboxylate Openeye Name: ethyl 7-(2-benzyloxycarbonyl-1-methyl-isoindolin-5-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-8-(difluoromethoxy)-7-(1-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxoquinoline-3-carboxylate Traditional Name: 7-(2-carbobenzoxy-1-methyl-isoindolin-5-yl)-1-cyclopropyl-8-(difluoromethoxy)-4-keto-quinoline-3-carboxylic acid ethyl ester Formula: C33H30F2N2O6 MolecularWeight: 588.597906

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)C3=CC4=C(C=C3)C(N(C4)C(=O)OCC5=CC=CC=C5)C)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C1=O)C=CC(=C2OC(F)F)C3=CC4=C(C=C3)C(N(C4)C(=O)OCC5=CC=CC=C5)C)C6CC6

InChI

InChI=1S/C33H30F2N2O6/c1-3-41-31(39)27-17-37(23-10-11-23)28-26(29(27)38)14-13-25(30(28)43-32(34)35)21-9-12-24-19(2)36(16-22(24)15-21)33(40)42-18-20-7-5-4-6-8-20/h4-9,12-15,17,19,23,32H,3,10-11,16,18H2,1-2H3