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

Systemtic Name: 3-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-benzofuranyl]methyl]-2-ethyl-5-methyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-2-ethyl-5-methylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-2-ethyl-5-methyl-imidazole-4-carboxylic acid Formula: C27H28BrN3O5 MolecularWeight: 554.43232

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NC(=O)OC(C)(C)C)C(=O)O)C

Isomeric SMILES

CCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NC(=O)OC(C)(C)C)C(=O)O)C

InChI

InChI=1S/C27H28BrN3O5/c1-6-21-29-15(2)23(25(32)33)31(21)14-16-11-12-20-18(13-16)22(28)24(35-20)17-9-7-8-10-19(17)30-26(34)36-27(3,4)5/h7-13H,6,14H2,1-5H3,(H,30,34)(H,32,33)