7-(2-ethanoyl-5-phenylmethoxy-phenoxy)-2-methyl-2-pentyl-heptanenitrile

Systemtic Name: 7-(2-ethanoyl-5-phenylmethoxy-phenoxy)-2-methyl-2-pentyl-heptanenitrile Openeye Name: 7-(2-acetyl-5-benzyloxy-phenoxy)-2-methyl-2-pentyl-heptanenitrile CAS Name: 7-(2-acetyl-5-phenylmethoxyphenoxy)-2-methyl-2-pentylheptanenitrile IUPAC Name: 7-(2-acetyl-5-phenylmethoxyphenoxy)-2-methyl-2-pentylheptanenitrile Traditional Name: 7-(2-acetyl-5-benzoxy-phenoxy)-2-amyl-2-methyl-enanthonitrile Formula: C28H37NO3 MolecularWeight: 435.59828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)(CCCCCOC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=O)C)C#N

Isomeric SMILES

CCCCCC(C)(CCCCCOC1=C(C=CC(=C1)OCC2=CC=CC=C2)C(=O)C)C#N

InChI

InChI=1S/C28H37NO3/c1-4-5-10-17-28(3,22-29)18-11-7-12-19-31-27-20-25(15-16-26(27)23(2)30)32-21-24-13-8-6-9-14-24/h6,8-9,13-16,20H,4-5,7,10-12,17-19,21H2,1-3H3