diethyl 2-acetamido-2-[[5-chloranyl-2-(2-cyanoethyl)phenyl]methyl]propanedioate

Systemtic Name: diethyl 2-acetamido-2-[[5-chloranyl-2-(2-cyanoethyl)phenyl]methyl]propanedioate Openeye Name: diethyl 2-acetamido-2-[[5-chloro-2-(2-cyanoethyl)phenyl]methyl]propanedioate CAS Name: 2-acetamido-2-[[5-chloro-2-(2-cyanoethyl)phenyl]methyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-acetamido-2-[[5-chloro-2-(2-cyanoethyl)phenyl]methyl]propanedioate Traditional Name: 2-acetamido-2-[5-chloro-2-(2-cyanoethyl)benzyl]malonic acid diethyl ester Formula: C19H23ClN2O5 MolecularWeight: 394.84932

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=C(C=CC(=C1)Cl)CCC#N)(C(=O)OCC)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=C(C=CC(=C1)Cl)CCC#N)(C(=O)OCC)NC(=O)C

InChI

InChI=1S/C19H23ClN2O5/c1-4-26-17(24)19(22-13(3)23,18(25)27-5-2)12-15-11-16(20)9-8-14(15)7-6-10-21/h8-9,11H,4-7,12H2,1-3H3,(H,22,23)