2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylidene)-6-oxidanyl-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylene)-6-hydroxy-7-(1-piperidylmethyl)benzofuran-3-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(1-piperidinylmethyl)-3-benzofuranone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylidene)-6-hydroxy-7-(piperidin-1-ylmethyl)-1-benzofuran-3-one Traditional Name: 6-hydroxy-7-(piperidinomethyl)-2-piperonylidene-coumaran-3-one Formula: C22H21NO5 MolecularWeight: 379.40584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

Isomeric SMILES

C1CCN(CC1)CC2=C(C=CC3=C2OC(=CC4=CC5=C(C=C4)OCO5)C3=O)O

InChI

InChI=1S/C22H21NO5/c24-17-6-5-15-21(25)20(11-14-4-7-18-19(10-14)27-13-26-18)28-22(15)16(17)12-23-8-2-1-3-9-23/h4-7,10-11,24H,1-3,8-9,12-13H2