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

Systemtic Name: 3-[[3-bromanyl-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-5-chloranyl-2-(cyclopropylmethyl)imidazole-4-carboxylic acid Openeye Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-(cyclopropylmethyl)imidazole-4-carboxylic acid CAS Name: 3-[[3-bromo-2-[2-[[(2-methylpropan-2-yl)oxy-oxomethyl]amino]phenyl]-5-benzofuranyl]methyl]-5-chloro-2-(cyclopropylmethyl)-4-imidazolecarboxylic acid IUPAC Name: 3-[[3-bromo-2-[2-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]-1-benzofuran-5-yl]methyl]-5-chloro-2-(cyclopropylmethyl)imidazole-4-carboxylic acid Traditional Name: 3-[[3-bromo-2-[2-(tert-butoxycarbonylamino)phenyl]benzofuran-5-yl]methyl]-5-chloro-2-(cyclopropylmethyl)imidazole-4-carboxylic acid Formula: C28H27BrClN3O5 MolecularWeight: 600.88808

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C3=C(O2)C=CC(=C3)CN4C(=NC(=C4C(=O)O)Cl)CC5CC5)Br

Isomeric SMILES

CC(C)(C)OC(=O)NC1=CC=CC=C1C2=C(C3=C(O2)C=CC(=C3)CN4C(=NC(=C4C(=O)O)Cl)CC5CC5)Br

InChI

InChI=1S/C28H27BrClN3O5/c1-28(2,3)38-27(36)31-19-7-5-4-6-17(19)24-22(29)18-12-16(10-11-20(18)37-24)14-33-21(13-15-8-9-15)32-25(30)23(33)26(34)35/h4-7,10-12,15H,8-9,13-14H2,1-3H3,(H,31,36)(H,34,35)