O2-[2-[(3-acetamidophenyl)-(2-cyanoethyl)amino]ethyl] O1-ethyl ethanedioate

Systemtic Name: O2-[2-[(3-acetamidophenyl)-(2-cyanoethyl)amino]ethyl] O1-ethyl ethanedioate Openeye Name: O2-[2-[3-acetamido-N-(2-cyanoethyl)anilino]ethyl] O1-ethyl oxalate CAS Name: oxalic acid O2-[2-[3-acetamido-N-(2-cyanoethyl)anilino]ethyl] ester O1-ethyl ester IUPAC Name: 2-O-[2-[3-acetamido-N-(2-cyanoethyl)anilino]ethyl] 1-O-ethyl oxalate Traditional Name: oxalic acid O2-[2-[3-acetamido-N-(2-cyanoethyl)anilino]ethyl] ester O1-ethyl ester Formula: C17H21N3O5 MolecularWeight: 347.36574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3O5/c1-3-24-16(22)17(23)25-11-10-20(9-5-8-18)15-7-4-6-14(12-15)19-13(2)21/h4,6-7,12H,3,5,9-11H2,1-2H3,(H,19,21)