4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-chromen-2-one

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7,8-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-7,8-dimethylchromen-2-one Traditional Name: 7,8-dimethyl-4-[[methyl(piperonyl)amino]methyl]coumarin Formula: C21H21NO4 MolecularWeight: 351.39574

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)C

InChI

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