diethyl 2-acetamido-2-[[2-(2-bromoethyl)-3,5-dimethyl-phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-3,5-dimethyl-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-3,5-dimethyl-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(2-bromoethyl)-3,5-dimethylphenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(2-bromoethyl)-3,5-dimethylphenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-bromoethyl)-3,5-dimethyl-benzyl]malonic acid diethyl ester Formula: C20H28BrNO5 MolecularWeight: 442.34402

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC(=C1CCBr)C)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC(=C1CCBr)C)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28BrNO5/c1-6-26-18(24)20(22-15(5)23,19(25)27-7-2)12-16-11-13(3)10-14(4)17(16)8-9-21/h10-11H,6-9,12H2,1-5H3,(H,22,23)