[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-benzamidopropanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-benzamidopropanoate CAS Name: 2-benzamidopropanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-benzamidopropanoate Traditional Name: 2-benzamidopropionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4/c1-16(23-20(26)17-9-4-2-5-10-17)21(27)28-15-19(25)24(14-8-13-22)18-11-6-3-7-12-18/h2-7,9-12,16H,8,14-15H2,1H3,(H,23,26)