2-(3,4-dimethoxy-5-propyl-phenyl)ethanenitrile

Systemtic Name: 2-(3,4-dimethoxy-5-propyl-phenyl)ethanenitrile Openeye Name: 2-(3,4-dimethoxy-5-propyl-phenyl)acetonitrile CAS Name: 2-(3,4-dimethoxy-5-propylphenyl)acetonitrile IUPAC Name: 2-(3,4-dimethoxy-5-propylphenyl)acetonitrile Traditional Name: 2-(3,4-dimethoxy-5-propyl-phenyl)acetonitrile Formula: C13H17NO2 MolecularWeight: 219.27958

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=CC(=C1)CC#N)OC)OC

Isomeric SMILES

CCCC1=C(C(=CC(=C1)CC#N)OC)OC

InChI

InChI=1S/C13H17NO2/c1-4-5-11-8-10(6-7-14)9-12(15-2)13(11)16-3/h8-9H,4-6H2,1-3H3