4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 6-ethyl-7-hydroxy-4-[[methyl(piperonyl)amino]methyl]coumarin Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)O

InChI

InChI=1S/C21H21NO5/c1-3-14-7-16-15(8-21(24)27-19(16)9-17(14)23)11-22(2)10-13-4-5-18-20(6-13)26-12-25-18/h4-9,23H,3,10-12H2,1-2H3