[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]acetic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C20H19N3O5 MolecularWeight: 381.38196

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O5/c21-11-4-12-22-18(24)14-27-19(25)13-23-20(26)15-7-9-17(10-8-15)28-16-5-2-1-3-6-16/h1-3,5-10H,4,12-14H2,(H,22,24)(H,23,26)