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

Systemtic Name: diethyl 2-[7-(7a-azanyl-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoranyl-4-oxidanylidene-quinolin-3-yl]carbonylpropanedioate Openeye Name: diethyl 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-4-oxo-quinoline-3-carbonyl]propanedioate CAS Name: 2-[[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-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)-1-cyclopropyl-6-fluoro-4-oxoquinoline-3-carbonyl]propanedioate Traditional Name: 2-[7-(7a-amino-3,3a-dihydro-1H-isoindol-2-yl)-1-cyclopropyl-6-fluoro-4-keto-quinoline-3-carbonyl]malonic acid diethyl ester Formula: C28H30FN3O6 MolecularWeight: 523.552703

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H30FN3O6/c1-3-37-26(35)23(27(36)38-4-2)25(34)19-14-32(17-8-9-17)21-12-22(20(29)11-18(21)24(19)33)31-13-16-7-5-6-10-28(16,30)15-31/h5-7,10-12,14,16-17,23H,3-4,8-9,13,15,30H2,1-2H3