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

Systemtic Name: 7-(4-bromanyl-2-ethyl-5-phenylmethoxy-phenoxy)-2-methyl-2-pentyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-4-bromo-2-ethyl-phenoxy)-2-methyl-2-pentyl-heptanenitrile CAS Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2-methyl-2-pentylheptanenitrile IUPAC Name: 7-(4-bromo-2-ethyl-5-phenylmethoxyphenoxy)-2-methyl-2-pentylheptanenitrile Traditional Name: 2-amyl-7-(5-benzoxy-4-bromo-2-ethyl-phenoxy)-2-methyl-enanthonitrile Formula: C28H38BrNO2 MolecularWeight: 500.51082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCCCCOC1=CC(=C(C=C1CC)Br)OCC2=CC=CC=C2)C#N

Isomeric SMILES

CCCCCC(C)(CCCCCOC1=CC(=C(C=C1CC)Br)OCC2=CC=CC=C2)C#N

InChI

InChI=1S/C28H38BrNO2/c1-4-6-11-16-28(3,22-30)17-12-8-13-18-31-26-20-27(25(29)19-24(26)5-2)32-21-23-14-9-7-10-15-23/h7,9-10,14-15,19-20H,4-6,8,11-13,16-18,21H2,1-3H3