diethyl 2-(2-cyano-3-methyl-1-phenyl-butyl)propanedioate

Systemtic Name: diethyl 2-(2-cyano-3-methyl-1-phenyl-butyl)propanedioate Openeye Name: diethyl 2-(2-cyano-3-methyl-1-phenyl-butyl)propanedioate CAS Name: 2-(2-cyano-3-methyl-1-phenylbutyl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(2-cyano-3-methyl-1-phenylbutyl)propanedioate Traditional Name: 2-(2-cyano-3-methyl-1-phenyl-butyl)malonic acid diethyl ester Formula: C19H25NO4 MolecularWeight: 331.4061

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=CC=C1)C(C#N)C(C)C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C(C1=CC=CC=C1)C(C#N)C(C)C)C(=O)OCC

InChI

InChI=1S/C19H25NO4/c1-5-23-18(21)17(19(22)24-6-2)16(15(12-20)13(3)4)14-10-8-7-9-11-14/h7-11,13,15-17H,5-6H2,1-4H3