ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)propanedioate

Systemtic Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)propanedioate Openeye Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxo-7-quinolyl)propanedioate CAS Name: 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxo-7-quinolinyl)propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxoquinolin-7-yl)propanedioate Traditional Name: 2-(3-carbethoxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)malonic acid ditert-butyl ester Formula: C26H32FNO7 MolecularWeight: 489.533183

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3CC3

Isomeric SMILES

CCOC(=O)C1=CN(C2=CC(=C(C=C2C1=O)F)C(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C3CC3

InChI

InChI=1S/C26H32FNO7/c1-8-33-22(30)17-13-28(14-9-10-14)19-12-15(18(27)11-16(19)21(17)29)20(23(31)34-25(2,3)4)24(32)35-26(5,6)7/h11-14,20H,8-10H2,1-7H3