ethanedioic acid; 1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-pyridin-2-yl-2H-benzimidazole

Systemtic Name: ethanedioic acid; 1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-pyridin-2-yl-2H-benzimidazole Openeye Name: 1-[(E)-2-(2-methoxyphenyl)vinyl]-3-(2-pyridyl)-2H-benzimidazole; oxalic acid CAS Name: 1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-(2-pyridinyl)-2H-benzimidazole; oxalic acid IUPAC Name: 1-[(E)-2-(2-methoxyphenyl)ethenyl]-3-pyridin-2-yl-2H-benzimidazole; oxalic acid Traditional Name: 1-[(E)-2-(2-methoxyphenyl)vinyl]-3-(2-pyridyl)-2H-benzimidazole; oxalic acid Formula: C23H21N3O5 MolecularWeight: 419.42994

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1C=CN2CN(C3=CC=CC=C32)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

COC1=CC=CC=C1/C=C/N2CN(C3=CC=CC=C32)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H19N3O.C2H2O4/c1-25-20-11-5-2-8-17(20)13-15-23-16-24(21-12-6-7-14-22-21)19-10-4-3-9-18(19)23;3-1(4)2(5)6/h2-15H,16H2,1H3;(H,3,4)(H,5,6)/b15-13+;