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

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate CAS Name: 3-acetamido-3-(4-methoxyphenyl)propanoic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 3-acetamido-3-(4-methoxyphenyl)propanoate Traditional Name: 3-acetamido-3-(4-methoxyphenyl)propionic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)OCC(=O)N(CC#N)C1=CC=CC=C1)C2=CC=C(C=C2)OC

Isomeric SMILES

CC(=O)NC(CC(=O)OCC(=O)N(CC#N)C1=CC=CC=C1)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H23N3O5/c1-16(26)24-20(17-8-10-19(29-2)11-9-17)14-22(28)30-15-21(27)25(13-12-23)18-6-4-3-5-7-18/h3-11,20H,13-15H2,1-2H3,(H,24,26)