2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile

Systemtic Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxy-phenyl)prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-ethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(5,6-dimethyl-1H-benzimidazol-2-yl)-3-(3-ethoxy-4-phenylmethoxyphenyl)prop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-ethoxy-phenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)acrylonitrile Formula: C27H25N3O2 MolecularWeight: 423.5063

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OCC4=CC=CC=C4

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=C(N2)C=C(C(=C3)C)C)OCC4=CC=CC=C4

InChI

InChI=1S/C27H25N3O2/c1-4-31-26-15-21(10-11-25(26)32-17-20-8-6-5-7-9-20)14-22(16-28)27-29-23-12-18(2)19(3)13-24(23)30-27/h5-15H,4,17H2,1-3H3,(H,29,30)