6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)pyridin-3-yl]-5-chloranyl-pyridine-3-carboxylic acid

Systemtic Name: 6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)pyridin-3-yl]-5-chloranyl-pyridine-3-carboxylic acid Openeye Name: 6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)-3-pyridyl]-5-chloro-pyridine-3-carboxylic acid CAS Name: 6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)-3-pyridinyl]-5-chloro-3-pyridinecarboxylic acid IUPAC Name: 6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)pyridin-3-yl]-5-chloropyridine-3-carboxylic acid Traditional Name: 6-[6-(6-tert-butyl-1H-benzimidazol-2-yl)-3-pyridyl]-5-chloro-nicotinic acid Formula: C22H19ClN4O2 MolecularWeight: 406.86486

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=NC=C(C=C3)C4=C(C=C(C=N4)C(=O)O)Cl

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)N=C(N2)C3=NC=C(C=C3)C4=C(C=C(C=N4)C(=O)O)Cl

InChI

InChI=1S/C22H19ClN4O2/c1-22(2,3)14-5-7-16-18(9-14)27-20(26-16)17-6-4-12(10-24-17)19-15(23)8-13(11-25-19)21(28)29/h4-11H,1-3H3,(H,26,27)(H,28,29)