diethyl 2-acetamido-2-[[2-(3-bromanylpropyl)-5-methyl-phenyl]methyl]propanedioate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)C)CCCBr)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)C)CCCBr)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C20H28BrNO5/c1-5-26-18(24)20(22-15(4)23,19(25)27-6-2)13-17-12-14(3)9-10-16(17)8-7-11-21/h9-10,12H,5-8,11,13H2,1-4H3,(H,22,23)