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

Systemtic Name: 3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloranyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]methyl]-2-butyl-5-chloro-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-butyl-5-chloroimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-butyl-5-chloro-imidazole-4-carboxylic acid Formula: C24H20BrClN2O5 MolecularWeight: 531.783

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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)O)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrClN2O5/c1-2-3-8-18-27-22(26)20(24(31)32)28(18)12-13-9-10-17-16(11-13)19(25)21(33-17)14-6-4-5-7-15(14)23(29)30/h4-7,9-11H,2-3,8,12H2,1H3,(H,29,30)(H,31,32)