7-(3-cyclopentyloxy-5-ethyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(3-cyclopentyloxy-5-ethyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-[2-benzyloxy-3-(cyclopentoxy)-5-ethyl-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-(3-cyclopentyloxy-5-ethyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(3-cyclopentyloxy-5-ethyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-[2-benzoxy-3-(cyclopentoxy)-5-ethyl-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC3CCCC3

Isomeric SMILES

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC3CCCC3

InChI

InChI=1S/C29H39NO3/c1-4-23-19-26(31-18-12-6-11-17-29(2,3)22-30)28(32-21-24-13-7-5-8-14-24)27(20-23)33-25-15-9-10-16-25/h5,7-8,13-14,19-20,25H,4,6,9-12,15-18,21H2,1-3H3