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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 3-(aminocarbonylamino)-3-phenyl-propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 3-phenyl-3-ureido-propanoate CAS Name: 3-(carbamoylamino)-3-phenylpropanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 3-(carbamoylamino)-3-phenylpropanoate Traditional Name: 3-phenyl-3-ureido-propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O4/c22-12-7-13-25(17-10-5-2-6-11-17)19(26)15-29-20(27)14-18(24-21(23)28)16-8-3-1-4-9-16/h1-6,8-11,18H,7,13-15H2,(H3,23,24,28)