2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: 2-[(5-bromanyl-2-methoxy-phenyl)methylidene]-6-oxidanyl-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one Openeye Name: 2-[(5-bromo-2-methoxy-phenyl)methylene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)benzofuran-3-one CAS Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-(1-pyrrolidinylmethyl)-3-benzofuranone IUPAC Name: 2-[(5-bromo-2-methoxyphenyl)methylidene]-6-hydroxy-7-(pyrrolidin-1-ylmethyl)-1-benzofuran-3-one Traditional Name: 2-(5-bromo-2-methoxy-benzylidene)-6-hydroxy-7-(pyrrolidinomethyl)coumaran-3-one Formula: C21H20BrNO4 MolecularWeight: 430.2918

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)CN4CCCC4

InChI

InChI=1S/C21H20BrNO4/c1-26-18-7-4-14(22)10-13(18)11-19-20(25)15-5-6-17(24)16(21(15)27-19)12-23-8-2-3-9-23/h4-7,10-11,24H,2-3,8-9,12H2,1H3