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

Systemtic Name: 7-(4-cyclopentyloxy-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-4-(cyclopentoxy)-2-ethyl-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-(4-cyclopentyloxy-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(4-cyclopentyloxy-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-4-(cyclopentoxy)-2-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=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC3CCCC3

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC3CCCC3

InChI

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