[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethanoylamino)ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-(2-phenoxyethanoylamino)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-[(2-phenoxyacetyl)amino]acetate CAS Name: 2-[(1-oxo-2-phenoxyethyl)amino]acetic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-[(2-phenoxyacetyl)amino]acetate Traditional Name: 2-[(2-phenoxyacetyl)amino]acetic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2

Isomeric SMILES

CCOC1=CC=C(C=C1)N(CCC#N)C(=O)COC(=O)CNC(=O)COC2=CC=CC=C2

InChI

InChI=1S/C23H25N3O6/c1-2-30-20-11-9-18(10-12-20)26(14-6-13-24)22(28)17-32-23(29)15-25-21(27)16-31-19-7-4-3-5-8-19/h3-5,7-12H,2,6,14-17H2,1H3,(H,25,27)