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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-methoxyphenyl)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C20H20N2O4 MolecularWeight: 352.3838

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

Isomeric SMILES

COC1=CC=C(C=C1)CCC(=O)OCC(=O)N(CC#N)C2=CC=CC=C2

InChI

InChI=1S/C20H20N2O4/c1-25-18-10-7-16(8-11-18)9-12-20(24)26-15-19(23)22(14-13-21)17-5-3-2-4-6-17/h2-8,10-11H,9,12,14-15H2,1H3