2-(1,3-benzodioxol-5-ylmethylidene)-7-[[butyl(methyl)amino]methyl]-6-oxidanyl-1-benzofuran-3-one

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylidene)-7-[[butyl(methyl)amino]methyl]-6-oxidanyl-1-benzofuran-3-one Openeye Name: 2-(1,3-benzodioxol-5-ylmethylene)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-benzofuran-3-one CAS Name: 2-(1,3-benzodioxol-5-ylmethylidene)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-3-benzofuranone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylidene)-7-[[butyl(methyl)amino]methyl]-6-hydroxy-1-benzofuran-3-one Traditional Name: 7-[[butyl(methyl)amino]methyl]-6-hydroxy-2-piperonylidene-coumaran-3-one Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O

Isomeric SMILES

CCCCN(C)CC1=C(C=CC2=C1OC(=CC3=CC4=C(C=C3)OCO4)C2=O)O

InChI

InChI=1S/C22H23NO5/c1-3-4-9-23(2)12-16-17(24)7-6-15-21(25)20(28-22(15)16)11-14-5-8-18-19(10-14)27-13-26-18/h5-8,10-11,24H,3-4,9,12-13H2,1-2H3