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

Systemtic Name: tert-butyl 4-[5-bromanyl-5,5-dicyano-4-(dimethoxymethyl)pentyl]benzoate Openeye Name: tert-butyl 4-[5-bromo-5,5-dicyano-4-(dimethoxymethyl)pentyl]benzoate CAS Name: 4-[5-bromo-5,5-dicyano-4-(dimethoxymethyl)pentyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[5-bromo-5,5-dicyano-4-(dimethoxymethyl)pentyl]benzoate Traditional Name: 4-[5-bromo-5,5-dicyano-4-(dimethoxymethyl)pentyl]benzoic acid tert-butyl ester Formula: C21H27BrN2O4 MolecularWeight: 451.35408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H27BrN2O4/c1-20(2,3)28-18(25)16-11-9-15(10-12-16)7-6-8-17(19(26-4)27-5)21(22,13-23)14-24/h9-12,17,19H,6-8H2,1-5H3