[2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate

Systemtic Name: [2-[[4-(cyanomethyl)phenyl]amino]-2-oxidanylidene-ethyl] 3-(4-tert-butylphenoxy)propanoate Openeye Name: [2-[4-(cyanomethyl)anilino]-2-oxo-ethyl] 3-(4-tert-butylphenoxy)propanoate CAS Name: 3-(4-tert-butylphenoxy)propanoic acid [2-[4-(cyanomethyl)anilino]-2-oxoethyl] ester IUPAC Name: [2-[4-(cyanomethyl)anilino]-2-oxoethyl] 3-(4-tert-butylphenoxy)propanoate Traditional Name: 3-(4-tert-butylphenoxy)propionic acid [2-[4-(cyanomethyl)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)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCCC(=O)OCC(=O)NC2=CC=C(C=C2)CC#N

InChI

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