tert-butyl 4-[5-[bromanyl(methoxy)methyl]-6,6-dicyano-hexyl]benzoate

Systemtic Name: tert-butyl 4-[5-[bromanyl(methoxy)methyl]-6,6-dicyano-hexyl]benzoate Openeye Name: tert-butyl 4-[5-[bromo(methoxy)methyl]-6,6-dicyano-hexyl]benzoate CAS Name: 4-[5-[bromo(methoxy)methyl]-6,6-dicyanohexyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-[bromo(methoxy)methyl]-6,6-dicyanohexyl]benzoate Traditional Name: 4-[5-[bromo(methoxy)methyl]-6,6-dicyano-hexyl]benzoic acid tert-butyl ester Formula: C21H27BrN2O3 MolecularWeight: 435.35468

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O3/c1-21(2,3)27-20(25)16-11-9-15(10-12-16)7-5-6-8-18(19(22)26-4)17(13-23)14-24/h9-12,17-19H,5-8H2,1-4H3