3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]methyl]-2-ethyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C25H18BrN3O5 MolecularWeight: 520.33152

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)O)N=C(C=C2)C(=O)O

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)O)N=C(C=C2)C(=O)O

InChI

InChI=1S/C25H18BrN3O5/c1-2-20-27-17-8-9-18(25(32)33)28-23(17)29(20)12-13-7-10-19-16(11-13)21(26)22(34-19)14-5-3-4-6-15(14)24(30)31/h3-11H,2,12H2,1H3,(H,30,31)(H,32,33)