(2E)-2-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-4-methyl-3-oxidanylidene-pentanenitrile

Systemtic Name: (2E)-2-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-4-methyl-3-oxidanylidene-pentanenitrile Openeye Name: (2E)-2-[[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]methylene]-4-methyl-3-oxo-pentanenitrile CAS Name: (2E)-2-[[3,5-dimethyl-4-(2-pyridinylmethoxy)phenyl]methylidene]-4-methyl-3-oxopentanenitrile IUPAC Name: (2E)-2-[[3,5-dimethyl-4-(pyridin-2-ylmethoxy)phenyl]methylidene]-4-methyl-3-oxopentanenitrile Traditional Name: (E)-3-[3,5-dimethyl-4-(2-pyridylmethoxy)phenyl]-2-isobutyryl-acrylonitrile Formula: C21H22N2O2 MolecularWeight: 334.41158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)C=C(C#N)C(=O)C(C)C

Isomeric SMILES

CC1=CC(=CC(=C1OCC2=CC=CC=N2)C)/C=C(\C#N)/C(=O)C(C)C

InChI

InChI=1S/C21H22N2O2/c1-14(2)20(24)18(12-22)11-17-9-15(3)21(16(4)10-17)25-13-19-7-5-6-8-23-19/h5-11,14H,13H2,1-4H3/b18-11+