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

Systemtic Name: 7-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2-phenyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)-2-phenyl-heptanenitrile CAS Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2-phenylheptanenitrile IUPAC Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2-phenylheptanenitrile Traditional Name: 7-(5-benzoxy-4-bromo-2-ethyl-phenoxy)-2-phenyl-enanthonitrile Formula: C28H30BrNO2 MolecularWeight: 492.4473

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C#N)C2=CC=CC=C2)OCC3=CC=CC=C3)Br

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C#N)C2=CC=CC=C2)OCC3=CC=CC=C3)Br

InChI

InChI=1S/C28H30BrNO2/c1-2-23-18-26(29)28(32-21-22-12-6-3-7-13-22)19-27(23)31-17-11-5-10-16-25(20-30)24-14-8-4-9-15-24/h3-4,6-9,12-15,18-19,25H,2,5,10-11,16-17,21H2,1H3