(2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: (2Z)-2-[(5-bromanyl-1-benzofuran-2-yl)methylidene]-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Openeye Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one CAS Name: (2Z)-2-[(5-bromo-2-benzofuranyl)methylidene]-6-hydroxy-7-(1-piperidinylmethyl)-3-benzofuranone IUPAC Name: (2Z)-2-[(5-bromo-1-benzofuran-2-yl)methylidene]-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Traditional Name: (2Z)-2-[(5-bromobenzofuran-2-yl)methylene]-6-hydroxy-7-(piperidinomethyl)coumaran-3-one Formula: C23H20BrNO4 MolecularWeight: 454.3132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(O4)C=CC(=C5)Br)C3=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2O/C(=C\C4=CC5=C(O4)C=CC(=C5)Br)/C3=O)O

InChI

InChI=1S/C23H20BrNO4/c24-15-4-7-20-14(10-15)11-16(28-20)12-21-22(27)17-5-6-19(26)18(23(17)29-21)13-25-8-2-1-3-9-25/h4-7,10-12,26H,1-3,8-9,13H2/b21-12-