3-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid

Systemtic Name: 3-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-(2-tert-butoxycarbonylphenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxy-oxomethyl]phenyl]-5-benzofuranyl]methyl]-5-cyclopropyl-2-ethyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-1-benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-(2-tert-butoxycarbonylphenyl)benzofuran-5-yl]methyl]-5-cyclopropyl-2-ethyl-imidazole-4-carboxylic acid Formula: C29H29BrN2O5 MolecularWeight: 565.45496

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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)OC(C)(C)C)C(=O)O)C5CC5

Isomeric SMILES

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

InChI

InChI=1S/C29H29BrN2O5/c1-5-22-31-24(17-11-12-17)25(27(33)34)32(22)15-16-10-13-21-20(14-16)23(30)26(36-21)18-8-6-7-9-19(18)28(35)37-29(2,3)4/h6-10,13-14,17H,5,11-12,15H2,1-4H3,(H,33,34)