6-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-hexanenitrile Openeye Name: 6-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-hexanenitrile CAS Name: 6-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylhexanenitrile IUPAC Name: 6-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylhexanenitrile Traditional Name: 6-(5-benzoxy-4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-hexanenitrile Formula: C23H28BrNO2 MolecularWeight: 430.37792

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCC(C)(C)C#N)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCC(C)(C)C#N)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C23H28BrNO2/c1-4-19-14-20(24)22(27-16-18-10-6-5-7-11-18)15-21(19)26-13-9-8-12-23(2,3)17-25/h5-7,10-11,14-15H,4,8-9,12-13,16H2,1-3H3