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

Systemtic Name: 3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]methyl]-2-ethyl-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Formula: C23H19BrN2O5 MolecularWeight: 483.31136

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)O)C

InChI

InChI=1S/C23H19BrN2O5/c1-3-18-25-12(2)20(23(29)30)26(18)11-13-8-9-17-16(10-13)19(24)21(31-17)14-6-4-5-7-15(14)22(27)28/h4-10H,3,11H2,1-2H3,(H,27,28)(H,29,30)