tert-butyl 4-[3-[bromanyl(methoxy)methyl]-4,4-dicyano-butyl]benzoate

Systemtic Name: tert-butyl 4-[3-[bromanyl(methoxy)methyl]-4,4-dicyano-butyl]benzoate Openeye Name: tert-butyl 4-[3-[bromo(methoxy)methyl]-4,4-dicyano-butyl]benzoate CAS Name: 4-[3-[bromo(methoxy)methyl]-4,4-dicyanobutyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-[bromo(methoxy)methyl]-4,4-dicyanobutyl]benzoate Traditional Name: 4-[3-[bromo(methoxy)methyl]-4,4-dicyano-butyl]benzoic acid tert-butyl ester Formula: C19H23BrN2O3 MolecularWeight: 407.30152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O3/c1-19(2,3)25-18(23)14-8-5-13(6-9-14)7-10-16(17(20)24-4)15(11-21)12-22/h5-6,8-9,15-17H,7,10H2,1-4H3