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

Systemtic Name: 3-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propyl-imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-5-methyl-2-propyl-imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-benzofuranyl]methyl]-5-methyl-2-propyl-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-5-methyl-2-propylimidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-5-methyl-2-propyl-imidazole-4-carboxylic acid Formula: C28H30BrN3O5 MolecularWeight: 568.4589

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2)OC(=C3Br)C4=CC=CC=C4NC(=O)OC(C)(C)C)C(=O)O)C

Isomeric SMILES

CCCC1=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/C28H30BrN3O5/c1-6-9-22-30-16(2)24(26(33)34)32(22)15-17-12-13-21-19(14-17)23(29)25(36-21)18-10-7-8-11-20(18)31-27(35)37-28(3,4)5/h7-8,10-14H,6,9,15H2,1-5H3,(H,31,35)(H,33,34)