[2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate

Systemtic Name: [2-[2-cyanoethyl(phenyl)amino]-2-oxidanylidene-ethyl] 2-(4-tert-butylphenoxy)ethanoate Openeye Name: [2-[N-(2-cyanoethyl)anilino]-2-oxo-ethyl] 2-(4-tert-butylphenoxy)acetate CAS Name: 2-(4-tert-butylphenoxy)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[N-(2-cyanoethyl)anilino]-2-oxoethyl] 2-(4-tert-butylphenoxy)acetate Traditional Name: 2-(4-tert-butylphenoxy)acetic acid [2-[N-(2-cyanoethyl)anilino]-2-keto-ethyl] ester Formula: C23H26N2O4 MolecularWeight: 394.46354

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC(=O)OCC(=O)N(CCC#N)C2=CC=CC=C2

InChI

InChI=1S/C23H26N2O4/c1-23(2,3)18-10-12-20(13-11-18)28-17-22(27)29-16-21(26)25(15-7-14-24)19-8-5-4-6-9-19/h4-6,8-13H,7,15-17H2,1-3H3