tert-butyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate

Systemtic Name: tert-butyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate Openeye Name: tert-butyl 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoate CAS Name: 4-[4-(dicyanomethyl)-5,5-dimethoxypentyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(dicyanomethyl)-5,5-dimethoxypentyl]benzoate Traditional Name: 4-[4-(dicyanomethyl)-5,5-dimethoxy-pentyl]benzoic acid tert-butyl ester Formula: C21H28N2O4 MolecularWeight: 372.45802

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC(C(C#N)C#N)C(OC)OC

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC=C(C=C1)CCCC(C(C#N)C#N)C(OC)OC

InChI

InChI=1S/C21H28N2O4/c1-21(2,3)27-19(24)16-11-9-15(10-12-16)7-6-8-18(17(13-22)14-23)20(25-4)26-5/h9-12,17-18,20H,6-8H2,1-5H3