2-[3-bromanyl-5-[(5-ethoxycarbonyl-2,4-dimethyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid

Systemtic Name: 2-[3-bromanyl-5-[(5-ethoxycarbonyl-2,4-dimethyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2,4-dimethyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2,4-dimethyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2,4-dimethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(5-carbethoxy-2,4-dimethyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C24H21BrN2O5 MolecularWeight: 497.33794

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C)C

InChI

InChI=1S/C24H21BrN2O5/c1-4-31-24(30)21-13(2)26-14(3)27(21)12-15-9-10-19-18(11-15)20(25)22(32-19)16-7-5-6-8-17(16)23(28)29/h5-11H,4,12H2,1-3H3,(H,28,29)