3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-imidazol-1-ylpropyl)-4-oxidanyl-2H-pyrrol-5-one Openeye Name: 3-(benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxy-phenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-[3-(1-imidazolyl)propyl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-(3-imidazol-1-ylpropyl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-1-(3-imidazol-1-ylpropyl)-3-pyrrolin-2-one Formula: C26H22BrN3O6 MolecularWeight: 552.37338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CCCN3C=CN=C3)O)C(=O)C4=CC5=CC=CC=C5O4)Br)O

InChI

InChI=1S/C26H22BrN3O6/c1-35-19-13-16(11-17(27)23(19)31)22-21(24(32)20-12-15-5-2-3-6-18(15)36-20)25(33)26(34)30(22)9-4-8-29-10-7-28-14-29/h2-3,5-7,10-14,22,31,33H,4,8-9H2,1H3