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

Systemtic Name: 3-[[3-bromanyl-2-(2-ethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)-5-benzofuranyl]methyl]-2-ethyl-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-ethoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carbethoxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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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)OCC)C(=O)O)C

Isomeric SMILES

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

InChI

InChI=1S/C25H23BrN2O5/c1-4-20-27-14(3)22(24(29)30)28(20)13-15-10-11-19-18(12-15)21(26)23(33-19)16-8-6-7-9-17(16)25(31)32-5-2/h6-12H,4-5,13H2,1-3H3,(H,29,30)