2-[[2-[6-(3,4-dimethylphenyl)pyridin-2-yl]-1H-benzimidazol-4-yl]methylidene]propanedioic acid

Systemtic Name: 2-[[2-[6-(3,4-dimethylphenyl)pyridin-2-yl]-1H-benzimidazol-4-yl]methylidene]propanedioic acid Openeye Name: 2-[[2-[6-(3,4-dimethylphenyl)-2-pyridyl]-1H-benzimidazol-4-yl]methylene]propanedioic acid CAS Name: 2-[[2-[6-(3,4-dimethylphenyl)-2-pyridinyl]-1H-benzimidazol-4-yl]methylidene]propanedioic acid IUPAC Name: 2-[[2-[6-(3,4-dimethylphenyl)pyridin-2-yl]-1H-benzimidazol-4-yl]methylidene]propanedioic acid Traditional Name: 2-[[2-[6-(3,4-dimethylphenyl)-2-pyridyl]-1H-benzimidazol-4-yl]methylene]malonic acid Formula: C24H19N3O4 MolecularWeight: 413.42536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=CC=C2)C3=NC4=C(C=CC=C4N3)C=C(C(=O)O)C(=O)O)C

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=CC=C2)C3=NC4=C(C=CC=C4N3)C=C(C(=O)O)C(=O)O)C

InChI

InChI=1S/C24H19N3O4/c1-13-9-10-15(11-14(13)2)18-6-4-8-20(25-18)22-26-19-7-3-5-16(21(19)27-22)12-17(23(28)29)24(30)31/h3-12H,1-2H3,(H,26,27)(H,28,29)(H,30,31)