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

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6,7-dimethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6,7-dimethylchromen-2-one Traditional Name: 6,7-dimethyl-4-[[methyl(piperonyl)amino]methyl]coumarin Formula: C21H21NO4 MolecularWeight: 351.39574

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(C)CC3=CC4=C(C=C3)OCO4)C

InChI

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