sodium 1-cyclohexyl-2-(6-phenylmethoxypyridin-3-yl)benzimidazole-5-carboxylate

Systemtic Name: sodium 1-cyclohexyl-2-(6-phenylmethoxypyridin-3-yl)benzimidazole-5-carboxylate Openeye Name: sodium 2-(6-benzyloxy-3-pyridyl)-1-cyclohexyl-benzimidazole-5-carboxylate CAS Name: sodium 1-cyclohexyl-2-(6-phenylmethoxy-3-pyridinyl)-5-benzimidazolecarboxylate IUPAC Name: sodium 1-cyclohexyl-2-(6-phenylmethoxypyridin-3-yl)benzimidazole-5-carboxylate Traditional Name: sodium 2-(6-benzoxy-3-pyridyl)-1-cyclohexyl-benzimidazole-5-carboxylate Formula: C26H24N3NaO3 MolecularWeight: 449.47683

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)[O-])N=C2C4=CN=C(C=C4)OCC5=CC=CC=C5.[Na+]

Isomeric SMILES

C1CCC(CC1)N2C3=C(C=C(C=C3)C(=O)[O-])N=C2C4=CN=C(C=C4)OCC5=CC=CC=C5.[Na+]

InChI

InChI=1S/C26H25N3O3.Na/c30-26(31)19-11-13-23-22(15-19)28-25(29(23)21-9-5-2-6-10-21)20-12-14-24(27-16-20)32-17-18-7-3-1-4-8-18;/h1,3-4,7-8,11-16,21H,2,5-6,9-10,17H2,(H,30,31);/q;+1/p-1