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

Systemtic Name: 2-[3-bromanyl-5-[(4-cyclopropyl-5-ethoxycarbonyl-2-ethyl-imidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Openeye Name: 2-[3-bromo-5-[(4-cyclopropyl-5-ethoxycarbonyl-2-ethyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid CAS Name: 2-[3-bromo-5-[(4-cyclopropyl-5-ethoxycarbonyl-2-ethyl-1-imidazolyl)methyl]-2-benzofuranyl]benzoic acid IUPAC Name: 2-[3-bromo-5-[(4-cyclopropyl-5-ethoxycarbonyl-2-ethylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoic acid Traditional Name: 2-[3-bromo-5-[(5-carbethoxy-4-cyclopropyl-2-ethyl-imidazol-1-yl)methyl]benzofuran-2-yl]benzoic acid Formula: C27H25BrN2O5 MolecularWeight: 537.4018

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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)C5CC5

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4C(=O)O)C(=O)OCC)C5CC5

InChI

InChI=1S/C27H25BrN2O5/c1-3-21-29-23(16-10-11-16)24(27(33)34-4-2)30(21)14-15-9-12-20-19(13-15)22(28)25(35-20)17-7-5-6-8-18(17)26(31)32/h5-9,12-13,16H,3-4,10-11,14H2,1-2H3,(H,31,32)