4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1-pyridin-2-yl-benzimidazole; ethanedioic acid

Systemtic Name: 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1-pyridin-2-yl-benzimidazole; ethanedioic acid Openeye Name: 4-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1-(2-pyridyl)benzimidazole; oxalic acid CAS Name: 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1-(2-pyridinyl)benzimidazole; oxalic acid IUPAC Name: 4-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole; oxalic acid Traditional Name: 4-[(E)-2-(2,3-dimethoxyphenyl)vinyl]-1-(2-pyridyl)benzimidazole; oxalic acid Formula: C24H21N3O6 MolecularWeight: 447.44004

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C=CC2=C3C(=CC=C2)N(C=N3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)/C=C/C2=C3C(=CC=C2)N(C=N3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C22H19N3O2.C2H2O4/c1-26-19-10-6-8-17(22(19)27-2)13-12-16-7-5-9-18-21(16)24-15-25(18)20-11-3-4-14-23-20;3-1(4)2(5)6/h3-15H,1-2H3;(H,3,4)(H,5,6)/b13-12+;