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

Systemtic Name: 2-[3-bromanyl-5-[(2-ethyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(2-ethyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(2-ethyl-7-methyl-3-imidazo[4,5-b]pyridinyl)methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(2-ethyl-7-methylimidazo[4,5-b]pyridin-3-yl)methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(2-ethyl-7-methyl-imidazo[4,5-b]pyridin-3-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C25H20BrN3O3 MolecularWeight: 490.3486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=CN=C2N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)O)C

Isomeric SMILES

CCC1=NC2=C(C=CN=C2N1CC3=CC4=C(C=C3)OC(=C4Br)C5=CC=CC=C5C(=O)O)C

InChI

InChI=1S/C25H20BrN3O3/c1-3-20-28-22-14(2)10-11-27-24(22)29(20)13-15-8-9-19-18(12-15)21(26)23(32-19)16-6-4-5-7-17(16)25(30)31/h4-12H,3,13H2,1-2H3,(H,30,31)