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

Systemtic Name: tert-butyl 4-[4-[bromanyl(methoxy)methyl]-5,5-dicyano-pentyl]benzoate Openeye Name: tert-butyl 4-[4-[bromo(methoxy)methyl]-5,5-dicyano-pentyl]benzoate CAS Name: 4-[4-[bromo(methoxy)methyl]-5,5-dicyanopentyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[bromo(methoxy)methyl]-5,5-dicyanopentyl]benzoate Traditional Name: 4-[4-[bromo(methoxy)methyl]-5,5-dicyano-pentyl]benzoic acid tert-butyl ester Formula: C20H25BrN2O3 MolecularWeight: 421.3281

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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)Br

Isomeric SMILES

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

InChI

InChI=1S/C20H25BrN2O3/c1-20(2,3)26-19(24)15-10-8-14(9-11-15)6-5-7-17(18(21)25-4)16(12-22)13-23/h8-11,16-18H,5-7H2,1-4H3