tert-butyl 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoate

Systemtic Name: tert-butyl 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoate Openeye Name: tert-butyl 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoate CAS Name: 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoate Traditional Name: 4-[6,6-dicyano-4-(dimethoxymethyl)hexyl]benzoic acid tert-butyl ester Formula: C22H30N2O4 MolecularWeight: 386.4846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-22(2,3)28-20(25)18-11-9-16(10-12-18)7-6-8-19(21(26-4)27-5)13-17(14-23)15-24/h9-12,17,19,21H,6-8,13H2,1-5H3