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

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7-ethyl-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7-ethylchromen-2-one Traditional Name: 7-ethyl-4-[[methyl(piperonyl)amino]methyl]coumarin Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H21NO4/c1-3-14-4-6-17-16(10-21(23)26-19(17)8-14)12-22(2)11-15-5-7-18-20(9-15)25-13-24-18/h4-10H,3,11-13H2,1-2H3