5-bromanyl-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile

Systemtic Name: 5-bromanyl-2-(3,4-dimethoxyphenyl)-2-propan-2-yl-pentanenitrile Openeye Name: 5-bromo-2-(3,4-dimethoxyphenyl)-2-isopropyl-pentanenitrile CAS Name: 5-bromo-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile IUPAC Name: 5-bromo-2-(3,4-dimethoxyphenyl)-2-propan-2-ylpentanenitrile Traditional Name: 5-bromo-2-(3,4-dimethoxyphenyl)-2-isopropyl-valeronitrile Formula: C16H22BrNO2 MolecularWeight: 340.25538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCBr)(C#N)C1=CC(=C(C=C1)OC)OC

Isomeric SMILES

CC(C)C(CCCBr)(C#N)C1=CC(=C(C=C1)OC)OC

InChI

InChI=1S/C16H22BrNO2/c1-12(2)16(11-18,8-5-9-17)13-6-7-14(19-3)15(10-13)20-4/h6-7,10,12H,5,8-9H2,1-4H3