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

Systemtic Name: ethyl 1-cyclopropyl-6-fluoranyl-8-methoxy-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-6-fluoro-8-methoxy-4-oxo-quinoline-3-carboxylate CAS Name: 1-cyclopropyl-6-fluoro-8-methoxy-7-(1-methyl-2-phenylmethoxycarbonyl-1,3-dihydroisoindol-5-yl)-4-oxo-3-quinolinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-cyclopropyl-6-fluoro-8-methoxy-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-6-fluoro-4-keto-8-methoxy-quinoline-3-carboxylic acid ethyl ester Formula: C33H31FN2O6 MolecularWeight: 570.607443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(C=C3)C(N(C4)C(=O)OCC5=CC=CC=C5)C)OC)C6CC6

Isomeric SMILES

CCOC(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)C3=CC4=C(C=C3)C(N(C4)C(=O)OCC5=CC=CC=C5)C)OC)C6CC6

InChI

InChI=1S/C33H31FN2O6/c1-4-41-32(38)26-17-36(23-11-12-23)29-25(30(26)37)15-27(34)28(31(29)40-3)21-10-13-24-19(2)35(16-22(24)14-21)33(39)42-18-20-8-6-5-7-9-20/h5-10,13-15,17,19,23H,4,11-12,16,18H2,1-3H3