[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] (2R)-2-(4-cyanophenoxy)propanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] (2R)-2-(4-cyanophenoxy)propanoate CAS Name: (2R)-2-(4-cyanophenoxy)propanoic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] (2R)-2-(4-cyanophenoxy)propanoate Traditional Name: (2R)-2-(4-cyanophenoxy)propionic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H19N3O4 MolecularWeight: 377.39326

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C[C@H](C(=O)OCC(=O)N(CCC#N)C1=CC=CC=C1)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H19N3O4/c1-16(28-19-10-8-17(14-23)9-11-19)21(26)27-15-20(25)24(13-5-12-22)18-6-3-2-4-7-18/h2-4,6-11,16H,5,13,15H2,1H3/t16-/m1/s1