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

Systemtic Name: 3-(1-benzofuran-2-ylcarbonyl)-2-(3-bromanyl-5-methoxy-4-oxidanyl-phenyl)-1-(3-morpholin-4-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-morpholinopropyl)-2H-pyrrol-5-one CAS Name: 3-[2-benzofuranyl(oxo)methyl]-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-[3-(4-morpholinyl)propyl]-2H-pyrrol-5-one IUPAC Name: 3-(1-benzofuran-2-carbonyl)-2-(3-bromo-4-hydroxy-5-methoxyphenyl)-4-hydroxy-1-(3-morpholin-4-ylpropyl)-2H-pyrrol-5-one Traditional Name: 4-(benzofuran-2-carbonyl)-5-(3-bromo-4-hydroxy-5-methoxy-phenyl)-3-hydroxy-1-(3-morpholinopropyl)-3-pyrrolin-2-one Formula: C27H27BrN2O7 MolecularWeight: 571.41648

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)Br)O

Isomeric SMILES

COC1=C(C(=CC(=C1)C2C(=C(C(=O)N2CCCN3CCOCC3)O)C(=O)C4=CC5=CC=CC=C5O4)Br)O

InChI

InChI=1S/C27H27BrN2O7/c1-35-20-15-17(13-18(28)24(20)31)23-22(25(32)21-14-16-5-2-3-6-19(16)37-21)26(33)27(34)30(23)8-4-7-29-9-11-36-12-10-29/h2-3,5-6,13-15,23,31,33H,4,7-12H2,1H3