2-[4-(3-methylbutoxy)phenyl]ethanenitrile

Systemtic Name: 2-[4-(3-methylbutoxy)phenyl]ethanenitrile Openeye Name: 2-(4-isopentyloxyphenyl)acetonitrile CAS Name: 2-[4-(3-methylbutoxy)phenyl]acetonitrile IUPAC Name: 2-[4-(3-methylbutoxy)phenyl]acetonitrile Traditional Name: 2-(4-isoamoxyphenyl)acetonitrile Formula: C13H17NO MolecularWeight: 203.28018

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)CC#N

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)CC#N

InChI

InChI=1S/C13H17NO/c1-11(2)8-10-15-13-5-3-12(4-6-13)7-9-14/h3-6,11H,7-8,10H2,1-2H3