(E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile CAS Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)-2-propenenitrile IUPAC Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enenitrile Traditional Name: (E)-2-(1H-benzimidazol-2-yl)-3-(4-butoxy-3-ethoxy-phenyl)acrylonitrile Formula: C22H23N3O2 MolecularWeight: 361.43692

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC

InChI

InChI=1S/C22H23N3O2/c1-3-5-12-27-20-11-10-16(14-21(20)26-4-2)13-17(15-23)22-24-18-8-6-7-9-19(18)25-22/h6-11,13-14H,3-5,12H2,1-2H3,(H,24,25)/b17-13+