[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-(4-ethanoylphenoxy)butanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 4-(4-acetylphenoxy)butanoate CAS Name: 4-(4-acetylphenoxy)butanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 4-(4-acetylphenoxy)butanoate Traditional Name: 4-(4-acetylphenoxy)butyric acid [2-[4-(cyanomethyl)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)OCCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OCCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C22H22N2O5/c1-16(25)18-6-10-20(11-7-18)28-14-2-3-22(27)29-15-21(26)24-19-8-4-17(5-9-19)12-13-23/h4-11H,2-3,12,14-15H2,1H3,(H,24,26)