2-[(E)-2-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate dihydrochloride

Systemtic Name: 2-[(E)-2-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate dihydrochloride Openeye Name: 2-[(E)-2-[4-methoxy-3-(2-pyridylmethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate dihydrochloride CAS Name: 2-[(E)-2-[4-methoxy-3-(2-pyridinylmethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate dihydrochloride IUPAC Name: 2-[(E)-2-[4-methoxy-3-(pyridin-2-ylmethoxy)phenyl]ethenyl]-1H-benzimidazole-4-carboxylate dihydrochloride Traditional Name: 2-[(E)-2-[4-methoxy-3-(2-pyridylmethoxy)phenyl]vinyl]-1H-benzimidazole-4-carboxylate dihydrochloride Formula: C23H20Cl2N3O4- MolecularWeight: 473.3286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC4=CC=CC=N4.Cl.Cl

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C2=NC3=C(C=CC=C3N2)C(=O)[O-])OCC4=CC=CC=N4.Cl.Cl

InChI

InChI=1S/C23H19N3O4.2ClH/c1-29-19-10-8-15(13-20(19)30-14-16-5-2-3-12-24-16)9-11-21-25-18-7-4-6-17(23(27)28)22(18)26-21;;/h2-13H,14H2,1H3,(H,25,26)(H,27,28);2*1H/p-1/b11-9+;;