3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid CAS Name: 3-[[3-bromo-2-(2-carboxyphenyl)-5-benzofuranyl]methyl]-2-ethyl-7-methyl-5-imidazo[4,5-b]pyridinecarboxylic acid IUPAC Name: 3-[[3-bromo-2-(2-carboxyphenyl)-1-benzofuran-5-yl]methyl]-2-ethyl-7-methylimidazo[4,5-b]pyridine-5-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-carboxyphenyl)benzofuran-5-yl]methyl]-2-ethyl-7-methyl-imidazo[4,5-b]pyridine-5-carboxylic acid Formula: C26H20BrN3O5 MolecularWeight: 534.3581

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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=C2C)C(=O)O

Isomeric SMILES

CCC1=NC2=C(N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)O)N=C(C=C2C)C(=O)O

InChI

InChI=1S/C26H20BrN3O5/c1-3-20-29-22-13(2)10-18(26(33)34)28-24(22)30(20)12-14-8-9-19-17(11-14)21(27)23(35-19)15-6-4-5-7-16(15)25(31)32/h4-11H,3,12H2,1-2H3,(H,31,32)(H,33,34)