(2E)-2-[(3-methoxy-4-octyl-phenyl)methylidene]-3-oxidanylidene-butanenitrile

Systemtic Name: (2E)-2-[(3-methoxy-4-octyl-phenyl)methylidene]-3-oxidanylidene-butanenitrile Openeye Name: (2E)-2-[(3-methoxy-4-octyl-phenyl)methylene]-3-oxo-butanenitrile CAS Name: (2E)-2-[(3-methoxy-4-octylphenyl)methylidene]-3-oxobutanenitrile IUPAC Name: (2E)-2-[(3-methoxy-4-octylphenyl)methylidene]-3-oxobutanenitrile Traditional Name: (E)-2-acetyl-3-(3-methoxy-4-octyl-phenyl)acrylonitrile Formula: C20H27NO2 MolecularWeight: 313.43388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C=C(C#N)C(=O)C)OC

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)C)OC

InChI

InChI=1S/C20H27NO2/c1-4-5-6-7-8-9-10-18-12-11-17(14-20(18)23-3)13-19(15-21)16(2)22/h11-14H,4-10H2,1-3H3/b19-13+