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

Systemtic Name: diethyl 2-acetamido-2-[[2-(2-cyanoethyl)-3,5-dimethyl-phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[2-(2-cyanoethyl)-3,5-dimethyl-phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[2-(2-cyanoethyl)-3,5-dimethylphenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[2-(2-cyanoethyl)-3,5-dimethylphenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[2-(2-cyanoethyl)-3,5-dimethyl-benzyl]malonic acid diethyl ester Formula: C21H28N2O5 MolecularWeight: 388.45742

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC(=CC(=C1CCC#N)C)C)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC(=CC(=C1CCC#N)C)C)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C21H28N2O5/c1-6-27-19(25)21(23-16(5)24,20(26)28-7-2)13-17-12-14(3)11-15(4)18(17)9-8-10-22/h11-12H,6-9,13H2,1-5H3,(H,23,24)