3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-oxidanyl-chromen-2-one

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-oxidanyl-chromen-2-one Openeye Name: 3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-hydroxy-chromen-2-one CAS Name: 3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-hydroxy-1-benzopyran-2-one IUPAC Name: 3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-hydroxychromen-2-one Traditional Name: 3-(1,3-benzodioxol-5-yl)-8-[[butyl(methyl)amino]methyl]-7-hydroxy-coumarin Formula: C22H23NO5 MolecularWeight: 381.42172

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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