[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-ethylphenyl)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(4-ethylphenyl)propanoate CAS Name: 3-(4-ethylphenyl)propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-ethylphenyl)propanoate Traditional Name: 3-(4-ethylphenyl)propionic acid [2-[4-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CCC1=CC=C(C=C1)CCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C21H22N2O3/c1-2-16-3-5-17(6-4-16)9-12-21(25)26-15-20(24)23-19-10-7-18(8-11-19)13-14-22/h3-8,10-11H,2,9,12-13,15H2,1H3,(H,23,24)