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

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-phenoxyphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-[(4-phenoxybenzoyl)amino]acetate CAS Name: 2-[[oxo-(4-phenoxyphenyl)methyl]amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-[(4-phenoxybenzoyl)amino]acetate Traditional Name: 2-[(4-phenoxybenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23N3O5/c27-16-7-17-29(21-8-3-1-4-9-21)24(30)19-33-25(31)18-28-26(32)20-12-14-23(15-13-20)34-22-10-5-2-6-11-22/h1-6,8-15H,7,17-19H2,(H,28,32)