diethyl 2-acetamido-2-[[2-(2-bromoethyl)-5-ethyl-phenyl]methyl]propanedioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1)CCBr)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCC1=CC(=C(C=C1)CCBr)CC(C(=O)OCC)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28BrNO5/c1-5-15-8-9-16(10-11-21)17(12-15)13-20(22-14(4)23,18(24)26-6-2)19(25)27-7-3/h8-9,12H,5-7,10-11,13H2,1-4H3,(H,22,23)