3-[[2-(2-bromanyl-6-cyano-phenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[2-(2-bromanyl-6-cyano-phenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[2-(2-bromo-6-cyano-phenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[2-(2-bromo-6-cyanophenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[2-(2-bromo-6-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[2-(2-bromo-6-cyano-phenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C24H19BrClN3O3 MolecularWeight: 512.78296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3)C4=C(C=CC=C4Br)C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3)C4=C(C=CC=C4Br)C#N)C(=O)O)Cl

InChI

InChI=1S/C24H19BrClN3O3/c1-2-3-7-20-28-23(26)22(24(30)31)29(20)13-14-8-9-18-16(10-14)11-19(32-18)21-15(12-27)5-4-6-17(21)25/h4-6,8-11H,2-3,7,13H2,1H3,(H,30,31)