[2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate

Systemtic Name: [2-[bis(2-cyanoethyl)amino]-2-oxidanylidene-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Openeye Name: [2-[bis(2-cyanoethyl)amino]-2-oxo-ethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate CAS Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[bis(2-cyanoethyl)amino]-2-oxoethyl] 4-[(4-tert-butylphenoxy)methyl]benzoate Traditional Name: 4-[(4-tert-butylphenoxy)methyl]benzoic acid [2-[bis(2-cyanoethyl)amino]-2-keto-ethyl] ester Formula: C26H29N3O4 MolecularWeight: 447.52616

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OCC2=CC=C(C=C2)C(=O)OCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C26H29N3O4/c1-26(2,3)22-10-12-23(13-11-22)32-18-20-6-8-21(9-7-20)25(31)33-19-24(30)29(16-4-14-27)17-5-15-28/h6-13H,4-5,16-19H2,1-3H3