ethyl 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-oxidanylidene-propyl)phenyl]-2-cyano-propanoate

Systemtic Name: ethyl 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-oxidanylidene-propyl)phenyl]-2-cyano-propanoate Openeye Name: ethyl 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-oxo-propyl)phenyl]-2-cyano-propanoate CAS Name: 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-oxopropyl)phenyl]-2-cyanopropanoic acid ethyl ester IUPAC Name: ethyl 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-oxopropyl)phenyl]-2-cyanopropanoate Traditional Name: 2-acetamido-3-[2-(2-acetamido-2-cyano-3-ethoxy-3-keto-propyl)phenyl]-2-cyano-propionic acid ethyl ester Formula: C22H26N4O6 MolecularWeight: 442.46504

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(CC1=CC=CC=C1CC(C#N)(C(=O)OCC)NC(=O)C)(C#N)NC(=O)C

Isomeric SMILES

CCOC(=O)C(CC1=CC=CC=C1CC(C#N)(C(=O)OCC)NC(=O)C)(C#N)NC(=O)C

InChI

InChI=1S/C22H26N4O6/c1-5-31-19(29)21(13-23,25-15(3)27)11-17-9-7-8-10-18(17)12-22(14-24,26-16(4)28)20(30)32-6-2/h7-10H,5-6,11-12H2,1-4H3,(H,25,27)(H,26,28)