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

Systemtic Name: 7-(2-ethyl-5-phenylmethoxy-4-pyridin-2-yl-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-(2-pyridyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-5-phenylmethoxy-4-(2-pyridinyl)phenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-(2-ethyl-5-phenylmethoxy-4-pyridin-2-ylphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(2-pyridyl)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C29H34N2O2 MolecularWeight: 442.59246

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=CC=N2)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=CC=N2)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C29H34N2O2/c1-4-24-19-25(26-15-9-11-17-31-26)28(33-21-23-13-7-5-8-14-23)20-27(24)32-18-12-6-10-16-29(2,3)22-30/h5,7-9,11,13-15,17,19-20H,4,6,10,12,16,18,21H2,1-3H3