[1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate

Systemtic Name: [1-[2-cyanoethyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-[(4-tert-butylphenyl)carbonylamino]ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-1-methyl-2-oxo-ethyl] 2-[(4-tert-butylbenzoyl)amino]acetate CAS Name: 2-[[(4-tert-butylphenyl)-oxomethyl]amino]acetic acid [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] ester IUPAC Name: [1-[N-(2-cyanoethyl)anilino]-1-oxopropan-2-yl] 2-[(4-tert-butylbenzoyl)amino]acetate Traditional Name: 2-[(4-tert-butylbenzoyl)amino]acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-1-methyl-ethyl] ester Formula: C25H29N3O4 MolecularWeight: 435.51546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H29N3O4/c1-18(24(31)28(16-8-15-26)21-9-6-5-7-10-21)32-22(29)17-27-23(30)19-11-13-20(14-12-19)25(2,3)4/h5-7,9-14,18H,8,16-17H2,1-4H3,(H,27,30)