5-ethanoyl-2-octan-2-yloxy-benzenecarbonitrile

Systemtic Name: 5-ethanoyl-2-octan-2-yloxy-benzenecarbonitrile Openeye Name: 5-acetyl-2-(1-methylheptoxy)benzonitrile CAS Name: 5-acetyl-2-octan-2-yloxybenzonitrile IUPAC Name: 5-acetyl-2-octan-2-yloxybenzonitrile Traditional Name: 5-acetyl-2-(1-methylheptoxy)benzonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)C)C#N

Isomeric SMILES

CCCCCCC(C)OC1=C(C=C(C=C1)C(=O)C)C#N

InChI

InChI=1S/C17H23NO2/c1-4-5-6-7-8-13(2)20-17-10-9-15(14(3)19)11-16(17)12-18/h9-11,13H,4-8H2,1-3H3