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

Systemtic Name: 7-(4-ethoxy-2-ethyl-5-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(5-benzyloxy-4-ethoxy-2-ethyl-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(4-ethoxy-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(4-ethoxy-2-ethyl-5-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(5-benzoxy-4-ethoxy-2-ethyl-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C26H35NO3 MolecularWeight: 409.561

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-5-22-17-24(28-6-2)25(30-19-21-13-9-7-10-14-21)18-23(22)29-16-12-8-11-15-26(3,4)20-27/h7,9-10,13-14,17-18H,5-6,8,11-12,15-16,19H2,1-4H3