4-[2-(3-methylbutoxy)ethanoyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-methylbutoxy)ethanoyl]benzenecarbonitrile Openeye Name: 4-(2-isopentyloxyacetyl)benzonitrile CAS Name: 4-[2-(3-methylbutoxy)-1-oxoethyl]benzonitrile IUPAC Name: 4-[2-(3-methylbutoxy)acetyl]benzonitrile Traditional Name: 4-(2-isoamoxyacetyl)benzonitrile Formula: C14H17NO2 MolecularWeight: 231.29028

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC(=O)C1=CC=C(C=C1)C#N

Isomeric SMILES

CC(C)CCOCC(=O)C1=CC=C(C=C1)C#N

InChI

InChI=1S/C14H17NO2/c1-11(2)7-8-17-10-14(16)13-5-3-12(9-15)4-6-13/h3-6,11H,7-8,10H2,1-2H3