4-(2-octan-2-yloxyethanoyl)benzenecarbonitrile

Systemtic Name: 4-(2-octan-2-yloxyethanoyl)benzenecarbonitrile Openeye Name: 4-[2-(1-methylheptoxy)acetyl]benzonitrile CAS Name: 4-(2-octan-2-yloxy-1-oxoethyl)benzonitrile IUPAC Name: 4-(2-octan-2-yloxyacetyl)benzonitrile Traditional Name: 4-[2-(1-methylheptoxy)acetyl]benzonitrile Formula: C17H23NO2 MolecularWeight: 273.37002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OCC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CCCCCCC(C)OCC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C17H23NO2/c1-3-4-5-6-7-14(2)20-13-17(19)16-10-8-15(12-18)9-11-16/h8-11,14H,3-7,13H2,1-2H3