(E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile

Systemtic Name: (E)-3-(2-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Openeye Name: (E)-3-(4-benzyloxy-2-bromo-5-methoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile CAS Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)-2-propenenitrile IUPAC Name: (E)-3-(2-bromo-5-methoxy-4-phenylmethoxyphenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)prop-2-enenitrile Traditional Name: (E)-3-(4-benzoxy-2-bromo-5-methoxy-phenyl)-2-(6-methoxy-1H-benzimidazol-2-yl)acrylonitrile Formula: C25H20BrN3O3 MolecularWeight: 490.3486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(N2)C(=CC3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)C#N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(N2)/C(=C/C3=CC(=C(C=C3Br)OCC4=CC=CC=C4)OC)/C#N

InChI

InChI=1S/C25H20BrN3O3/c1-30-19-8-9-21-22(12-19)29-25(28-21)18(14-27)10-17-11-23(31-2)24(13-20(17)26)32-15-16-6-4-3-5-7-16/h3-13H,15H2,1-2H3,(H,28,29)/b18-10+