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

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

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C24H20BrClN2O5/c1-3-18-27-22(26)20(23(29)30)28(18)12-13-9-10-17-16(11-13)19(25)21(33-17)14-7-5-6-8-15(14)24(31)32-4-2/h5-11H,3-4,12H2,1-2H3,(H,29,30)