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

Systemtic Name: 3-[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carbethoxyphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C26H24BrClN2O5 MolecularWeight: 559.83616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H24BrClN2O5/c1-3-5-10-20-29-24(28)22(25(31)32)30(20)14-15-11-12-19-18(13-15)21(27)23(35-19)16-8-6-7-9-17(16)26(33)34-4-2/h6-9,11-13H,3-5,10,14H2,1-2H3,(H,31,32)