[2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [2-[2-cyanoethyl-(4-ethoxyphenyl)amino]-2-oxidanylidene-ethyl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)-4-ethoxyanilino]-2-oxoethyl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)-4-ethoxy-anilino]-2-keto-ethyl] ester Formula: C26H31N3O5 MolecularWeight: 465.54144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H31N3O5/c1-5-33-22-13-11-21(12-14-22)29(16-6-15-27)23(30)18-34-24(31)17-28-25(32)19-7-9-20(10-8-19)26(2,3)4/h7-14H,5-6,16-18H2,1-4H3,(H,28,32)