tert-butyl 4-[5-(dicyanomethyl)-6,6-dimethoxy-hexyl]benzoate

Systemtic Name: tert-butyl 4-[5-(dicyanomethyl)-6,6-dimethoxy-hexyl]benzoate Openeye Name: tert-butyl 4-[5-(dicyanomethyl)-6,6-dimethoxy-hexyl]benzoate CAS Name: 4-[5-(dicyanomethyl)-6,6-dimethoxyhexyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-(dicyanomethyl)-6,6-dimethoxyhexyl]benzoate Traditional Name: 4-[5-(dicyanomethyl)-6,6-dimethoxy-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)CCCCC(C(C#N)C#N)C(OC)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O4/c1-22(2,3)28-20(25)17-12-10-16(11-13-17)8-6-7-9-19(18(14-23)15-24)21(26-4)27-5/h10-13,18-19,21H,6-9H2,1-5H3