7-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(5-benzoxy-4-bromo-2-ethyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C24H30BrNO2 MolecularWeight: 444.4045

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)Br

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)Br

InChI

InChI=1S/C24H30BrNO2/c1-4-20-15-21(25)23(28-17-19-11-7-5-8-12-19)16-22(20)27-14-10-6-9-13-24(2,3)18-26/h5,7-8,11-12,15-16H,4,6,9-10,13-14,17H2,1-3H3