[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-ethanoylphenoxy)propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-(4-acetylphenoxy)propanoate CAS Name: 3-(4-acetylphenoxy)propanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(4-acetylphenoxy)propanoate Traditional Name: 3-(4-acetylphenoxy)propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C22H22N2O5 MolecularWeight: 394.42048

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OCCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C22H22N2O5/c1-17(25)18-8-10-20(11-9-18)28-15-12-22(27)29-16-21(26)24(14-5-13-23)19-6-3-2-4-7-19/h2-4,6-11H,5,12,14-16H2,1H3