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

Systemtic Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-chloranyl-7-ethyl-chromen-2-one Openeye Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethyl-chromen-2-one CAS Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethyl-1-benzopyran-2-one IUPAC Name: 4-[[1,3-benzodioxol-5-ylmethyl(methyl)amino]methyl]-6-chloro-7-ethylchromen-2-one Traditional Name: 6-chloro-7-ethyl-4-[[methyl(piperonyl)amino]methyl]coumarin Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC4=C(C=C3)OCO4)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3=CC4=C(C=C3)OCO4)Cl

InChI

InChI=1S/C21H20ClNO4/c1-3-14-7-19-16(9-17(14)22)15(8-21(24)27-19)11-23(2)10-13-4-5-18-20(6-13)26-12-25-18/h4-9H,3,10-12H2,1-2H3