O1-[2-(2-cyanoethyl)-5-methyl-phenyl] O3-ethyl 2-acetamido-2-methyl-propanedioate

Systemtic Name: O1-[2-(2-cyanoethyl)-5-methyl-phenyl] O3-ethyl 2-acetamido-2-methyl-propanedioate Openeye Name: O1-[2-(2-cyanoethyl)-5-methyl-phenyl] O3-ethyl 2-acetamido-2-methyl-propanedioate CAS Name: 2-acetamido-2-methylpropanedioic acid O1-[2-(2-cyanoethyl)-5-methylphenyl] ester O3-ethyl ester IUPAC Name: 1-O-[2-(2-cyanoethyl)-5-methylphenyl] 3-O-ethyl 2-acetamido-2-methylpropanedioate Traditional Name: 2-acetamido-2-methyl-malonic acid O1-[2-(2-cyanoethyl)-5-methyl-phenyl] ester O3-ethyl ester Formula: C18H22N2O5 MolecularWeight: 346.37768

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)(C(=O)OC1=C(C=CC(=C1)C)CCC#N)NC(=O)C

Isomeric SMILES

CCOC(=O)C(C)(C(=O)OC1=C(C=CC(=C1)C)CCC#N)NC(=O)C

InChI

InChI=1S/C18H22N2O5/c1-5-24-16(22)18(4,20-13(3)21)17(23)25-15-11-12(2)8-9-14(15)7-6-10-19/h8-9,11H,5-7H2,1-4H3,(H,20,21)