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

Systemtic Name: diethyl 2-[7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoranyl-8-methoxy-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate Openeye Name: diethyl 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-quinoline-3-carbonyl]propanedioate CAS Name: 2-[[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxo-3-quinolinyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-8-methoxy-4-oxoquinoline-3-carbonyl]propanedioate Traditional Name: 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-4-keto-8-methoxy-quinoline-3-carbonyl]malonic acid diethyl ester Formula: C29H32FN3O7 MolecularWeight: 553.578683

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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)OC)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)OC)C5CC5)C(=O)OCC

InChI

InChI=1S/C29H32FN3O7/c1-4-39-27(36)21(28(37)40-5-2)25(35)19-14-33(17-9-10-17)22-18(24(19)34)12-20(30)23(26(22)38-3)32-13-16-8-6-7-11-29(16,31)15-32/h6-8,11-12,14,16-17,21H,4-5,9-10,13,15,31H2,1-3H3