2-[(E)-2-cyclohexylethenyl]-5-methyl-1-pyridin-2-yl-benzimidazole; ethanedioic acid

Systemtic Name: 2-[(E)-2-cyclohexylethenyl]-5-methyl-1-pyridin-2-yl-benzimidazole; ethanedioic acid Openeye Name: 2-[(E)-2-cyclohexylvinyl]-5-methyl-1-(2-pyridyl)benzimidazole; oxalic acid CAS Name: 2-[(E)-2-cyclohexylethenyl]-5-methyl-1-(2-pyridinyl)benzimidazole; oxalic acid IUPAC Name: 2-[(E)-2-cyclohexylethenyl]-5-methyl-1-pyridin-2-ylbenzimidazole; oxalic acid Traditional Name: 2-[(E)-2-cyclohexylvinyl]-5-methyl-1-(2-pyridyl)benzimidazole; oxalic acid Formula: C23H25N3O4 MolecularWeight: 407.4623

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N(C(=N2)C=CC3CCCCC3)C4=CC=CC=N4.C(=O)(C(=O)O)O

Isomeric SMILES

CC1=CC2=C(C=C1)N(C(=N2)/C=C/C3CCCCC3)C4=CC=CC=N4.C(=O)(C(=O)O)O

InChI

InChI=1S/C21H23N3.C2H2O4/c1-16-10-12-19-18(15-16)23-21(13-11-17-7-3-2-4-8-17)24(19)20-9-5-6-14-22-20;3-1(4)2(5)6/h5-6,9-15,17H,2-4,7-8H2,1H3;(H,3,4)(H,5,6)/b13-11+;