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

Systemtic Name: 7-(3-ethoxy-5-ethyl-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-benzyloxy-3-ethoxy-5-ethyl-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(3-ethoxy-5-ethyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(3-ethoxy-5-ethyl-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-benzoxy-3-ethoxy-5-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(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OCC

Isomeric SMILES

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

InChI

InChI=1S/C26H35NO3/c1-5-21-17-23(28-6-2)25(30-19-22-13-9-7-10-14-22)24(18-21)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