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

Systemtic Name: 7-(4-ethoxy-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(4-ethoxy-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(4-ethoxy-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(4-ethoxy-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(4-ethoxy-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C19H29NO3 MolecularWeight: 319.43846

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)O)OCC

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)O)OCC

InChI

InChI=1S/C19H29NO3/c1-5-15-12-18(22-6-2)16(21)13-17(15)23-11-9-7-8-10-19(3,4)14-20/h12-13,21H,5-11H2,1-4H3