2-[3-[2-(cyanomethyl)-4,5-dimethoxy-phenoxy]-4-phenylmethoxy-phenyl]ethanenitrile

Systemtic Name: 2-[3-[2-(cyanomethyl)-4,5-dimethoxy-phenoxy]-4-phenylmethoxy-phenyl]ethanenitrile Openeye Name: 2-[4-benzyloxy-3-[2-(cyanomethyl)-4,5-dimethoxy-phenoxy]phenyl]acetonitrile CAS Name: 2-[3-[2-(cyanomethyl)-4,5-dimethoxyphenoxy]-4-phenylmethoxyphenyl]acetonitrile IUPAC Name: 2-[3-[2-(cyanomethyl)-4,5-dimethoxyphenoxy]-4-phenylmethoxyphenyl]acetonitrile Traditional Name: 2-[4-benzoxy-3-[2-(cyanomethyl)-4,5-dimethoxy-phenoxy]phenyl]acetonitrile Formula: C25H22N2O4 MolecularWeight: 414.45318

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CC#N)OC2=C(C=CC(=C2)CC#N)OCC3=CC=CC=C3)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CC#N)OC2=C(C=CC(=C2)CC#N)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C25H22N2O4/c1-28-23-15-20(11-13-27)22(16-24(23)29-2)31-25-14-18(10-12-26)8-9-21(25)30-17-19-6-4-3-5-7-19/h3-9,14-16H,10-11,17H2,1-2H3