diethyl 2-[7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate

Systemtic Name: diethyl 2-[7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-8-chloranyl-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate Openeye Name: diethyl 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl]propanedioate CAS Name: 2-[[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxo-3-quinolinyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedioate Traditional Name: 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-8-chloro-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl]malonic acid diethyl ester Formula: C28H29ClFN3O6 MolecularWeight: 557.997763

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC4C=CC=CC4(C3)N)Cl)C5CC5)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(=O)C1=CN(C2=C(C(=C(C=C2C1=O)F)N3CC4C=CC=CC4(C3)N)Cl)C5CC5)C(=O)OCC

InChI

InChI=1S/C28H29ClFN3O6/c1-3-38-26(36)20(27(37)39-4-2)25(35)18-13-33(16-8-9-16)22-17(24(18)34)11-19(30)23(21(22)29)32-12-15-7-5-6-10-28(15,31)14-32/h5-7,10-11,13,15-16,20H,3-4,8-9,12,14,31H2,1-2H3