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

Systemtic Name: 3-[1-benzofuran-5-yl-(3-bromanyl-2-ethoxycarbonyl-phenyl)methyl]-5-chloranyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[benzofuran-5-yl-(3-bromo-2-ethoxycarbonyl-phenyl)methyl]-5-chloro-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[5-benzofuranyl-(3-bromo-2-ethoxycarbonylphenyl)methyl]-5-chloro-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[1-benzofuran-5-yl-(3-bromo-2-ethoxycarbonylphenyl)methyl]-5-chloro-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[benzofuran-5-yl-(3-bromo-2-carbethoxy-phenyl)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(N1C(C2=CC3=C(C=C2)OC=C3)C4=C(C(=CC=C4)Br)C(=O)OCC)C(=O)O)Cl

Isomeric SMILES

CCC1=NC(=C(N1C(C2=CC3=C(C=C2)OC=C3)C4=C(C(=CC=C4)Br)C(=O)OCC)C(=O)O)Cl

InChI

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