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

Systemtic Name: 3-[[3-bromanyl-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-cyanophenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-cyanophenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-cyanophenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-cyanophenyl)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(=C3Br)C4=CC=CC=C4C#N)C(=O)O)Cl

Isomeric SMILES

CCCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C#N)C(=O)O)Cl

InChI

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