2-[5-methoxy-2-(3-phenylpropyl)-1-benzofuran-3-yl]ethanenitrile

Systemtic Name: 2-[5-methoxy-2-(3-phenylpropyl)-1-benzofuran-3-yl]ethanenitrile Openeye Name: 2-[5-methoxy-2-(3-phenylpropyl)benzofuran-3-yl]acetonitrile CAS Name: 2-[5-methoxy-2-(3-phenylpropyl)-3-benzofuranyl]acetonitrile IUPAC Name: 2-[5-methoxy-2-(3-phenylpropyl)-1-benzofuran-3-yl]acetonitrile Traditional Name: 2-[5-methoxy-2-(3-phenylpropyl)benzofuran-3-yl]acetonitrile Formula: C20H19NO2 MolecularWeight: 305.37036

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=C2CC#N)CCCC3=CC=CC=C3

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=C2CC#N)CCCC3=CC=CC=C3

InChI

InChI=1S/C20H19NO2/c1-22-16-10-11-20-18(14-16)17(12-13-21)19(23-20)9-5-8-15-6-3-2-4-7-15/h2-4,6-7,10-11,14H,5,8-9,12H2,1H3