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

Systemtic Name: 3-[[3-bromanyl-2-(2-methoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-5-chloranyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)benzofuran-5-yl]methyl]-5-chloro-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)-5-benzofuranyl]methyl]-5-chloro-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-methoxycarbonylphenyl)-1-benzofuran-5-yl]methyl]-5-chloro-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carbomethoxyphenyl)benzofuran-5-yl]methyl]-5-chloro-2-ethyl-imidazole-4-carboxylic acid Formula: C23H18BrClN2O5 MolecularWeight: 517.75642

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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)OC)C(=O)O)Cl

Isomeric SMILES

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

InChI

InChI=1S/C23H18BrClN2O5/c1-3-17-26-21(25)19(22(28)29)27(17)11-12-8-9-16-15(10-12)18(24)20(32-16)13-6-4-5-7-14(13)23(30)31-2/h4-10H,3,11H2,1-2H3,(H,28,29)