ditert-butyl 2-[[methyl-[6,7,8-tris(fluoranyl)-4-oxidanylidene-3-propan-2-yloxycarbonyl-quinolin-1-yl]amino]methyl]propanedioate

Systemtic Name: ditert-butyl 2-[[methyl-[6,7,8-tris(fluoranyl)-4-oxidanylidene-3-propan-2-yloxycarbonyl-quinolin-1-yl]amino]methyl]propanedioate Openeye Name: ditert-butyl 2-[[methyl-(6,7,8-trifluoro-3-isopropoxycarbonyl-4-oxo-1-quinolyl)amino]methyl]propanedioate CAS Name: 2-[[methyl-[6,7,8-trifluoro-4-oxo-3-[oxo(propan-2-yloxy)methyl]-1-quinolinyl]amino]methyl]propanedioic acid ditert-butyl ester IUPAC Name: ditert-butyl 2-[[methyl-(6,7,8-trifluoro-4-oxo-3-propan-2-yloxycarbonylquinolin-1-yl)amino]methyl]propanedioate Traditional Name: 2-[[methyl-(6,7,8-trifluoro-3-isopropoxycarbonyl-4-keto-1-quinolyl)amino]methyl]malonic acid ditert-butyl ester Formula: C26H33F3N2O7 MolecularWeight: 542.54463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33F3N2O7/c1-13(2)36-22(33)15-12-31(20-14(21(15)32)10-17(27)18(28)19(20)29)30(9)11-16(23(34)37-25(3,4)5)24(35)38-26(6,7)8/h10,12-13,16H,11H2,1-9H3