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

Systemtic Name: 2-(5-fluoranyl-3,4-dimethoxy-2-propyl-phenyl)ethanenitrile Openeye Name: 2-(5-fluoro-3,4-dimethoxy-2-propyl-phenyl)acetonitrile CAS Name: 2-(5-fluoro-3,4-dimethoxy-2-propylphenyl)acetonitrile IUPAC Name: 2-(5-fluoro-3,4-dimethoxy-2-propylphenyl)acetonitrile Traditional Name: 2-(5-fluoro-3,4-dimethoxy-2-propyl-phenyl)acetonitrile Formula: C13H16FNO2 MolecularWeight: 237.270043

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C(C=C1CC#N)F)OC)OC

Isomeric SMILES

CCCC1=C(C(=C(C=C1CC#N)F)OC)OC

InChI

InChI=1S/C13H16FNO2/c1-4-5-10-9(6-7-15)8-11(14)13(17-3)12(10)16-2/h8H,4-6H2,1-3H3