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

Systemtic Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoranyl-4-oxidanylidene-quinolin-7-yl)-2-ethyl-propanedioate Openeye Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxo-7-quinolyl)-2-ethyl-propanedioate CAS Name: 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxo-7-quinolinyl)-2-ethylpropanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-(1-cyclopropyl-3-ethoxycarbonyl-6-fluoro-4-oxoquinolin-7-yl)-2-ethylpropanedioate Traditional Name: 2-(3-carbethoxy-1-cyclopropyl-6-fluoro-4-keto-7-quinolyl)-2-ethyl-malonic acid ditert-butyl ester Formula: C28H36FNO7 MolecularWeight: 517.586343

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)OCC)C3CC3)F)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CCC(C1=C(C=C2C(=C1)N(C=C(C2=O)C(=O)OCC)C3CC3)F)(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C28H36FNO7/c1-9-28(24(33)36-26(3,4)5,25(34)37-27(6,7)8)19-14-21-17(13-20(19)29)22(31)18(23(32)35-10-2)15-30(21)16-11-12-16/h13-16H,9-12H2,1-8H3