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

Systemtic Name: 2-[3-bromanyl-5-[(5-ethoxycarbonyl-2-ethyl-4-methyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2-ethyl-4-methyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2-ethyl-4-methyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(5-ethoxycarbonyl-2-ethyl-4-methylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(5-carbethoxy-2-ethyl-4-methyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C25H23BrN2O5 MolecularWeight: 511.36452

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)OCC)C

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)OCC)C

InChI

InChI=1S/C25H23BrN2O5/c1-4-20-27-14(3)22(25(31)32-5-2)28(20)13-15-10-11-19-18(12-15)21(26)23(33-19)16-8-6-7-9-17(16)24(29)30/h6-12H,4-5,13H2,1-3H3,(H,29,30)