[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethanoylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethanoylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(2-phenoxyacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate Traditional Name: 2-[(2-phenoxyacetyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2

Isomeric SMILES

C1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C21H21N3O5/c22-12-7-13-24(17-8-3-1-4-9-17)20(26)16-29-21(27)14-23-19(25)15-28-18-10-5-2-6-11-18/h1-6,8-11H,7,13-16H2,(H,23,25)