[2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[cyanomethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(cyanomethyl)anilino]-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(cyanomethyl)anilino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-[N-(cyanomethyl)anilino]-2-keto-ethyl] ester Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)N(CC#N)C(=O)COC(=O)CNC(=O)C2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C25H21N3O5/c26-15-16-28(20-7-3-1-4-8-20)23(29)18-32-24(30)17-27-25(31)19-11-13-22(14-12-19)33-21-9-5-2-6-10-21/h1-14H,16-18H2,(H,27,31)