5-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-pentanenitrile

Systemtic Name: 5-(4-ethanoyl-2-ethyl-5-oxidanyl-phenoxy)-2,2-dimethyl-pentanenitrile Openeye Name: 5-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-pentanenitrile CAS Name: 5-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylpentanenitrile IUPAC Name: 5-(4-acetyl-2-ethyl-5-hydroxyphenoxy)-2,2-dimethylpentanenitrile Traditional Name: 5-(4-acetyl-2-ethyl-5-hydroxy-phenoxy)-2,2-dimethyl-valeronitrile Formula: C17H23NO3 MolecularWeight: 289.36942

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)C)O)OCCCC(C)(C)C#N

InChI

InChI=1S/C17H23NO3/c1-5-13-9-14(12(2)19)15(20)10-16(13)21-8-6-7-17(3,4)11-18/h9-10,20H,5-8H2,1-4H3