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

Systemtic Name: 7-(2-ethyl-4-pentoxy-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-2-ethyl-4-pentoxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(2-ethyl-4-pentoxy-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-4-pentoxy-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(4-amoxy-5-benzoxy-2-ethyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C29H41NO3 MolecularWeight: 451.64074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCOC1=C(C=C(C(=C1)CC)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2

InChI

InChI=1S/C29H41NO3/c1-5-7-13-18-32-27-20-25(6-2)26(31-19-14-9-12-17-29(3,4)23-30)21-28(27)33-22-24-15-10-8-11-16-24/h8,10-11,15-16,20-21H,5-7,9,12-14,17-19,22H2,1-4H3