2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]-N-tert-butyl-ethanamide chloride

Systemtic Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-ethenyl]-2-ethoxy-phenoxy]-N-tert-butyl-ethanamide chloride Openeye Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N-tert-butyl-acetamide chloride CAS Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N-tert-butylacetamide chloride IUPAC Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyanoethenyl]-2-ethoxyphenoxy]-N-tert-butylacetamide chloride Traditional Name: 2-[4-[(E)-2-(1H-benzimidazol-2-yl)-2-cyano-vinyl]-2-ethoxy-phenoxy]-N-tert-butyl-acetamide chloride Formula: C24H26ClN4O3- MolecularWeight: 453.94124

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)C2=NC3=CC=CC=C3N2)OCC(=O)NC(C)(C)C.[Cl-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/C2=NC3=CC=CC=C3N2)OCC(=O)NC(C)(C)C.[Cl-]

InChI

InChI=1S/C24H26N4O3.ClH/c1-5-30-21-13-16(10-11-20(21)31-15-22(29)28-24(2,3)4)12-17(14-25)23-26-18-8-6-7-9-19(18)27-23;/h6-13H,5,15H2,1-4H3,(H,26,27)(H,28,29);1H/p-1/b17-12+;