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

Systemtic Name: 6-chloranyl-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-7-ethyl-chromen-2-one Openeye Name: 6-chloro-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-7-ethyl-chromen-2-one CAS Name: 6-chloro-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-7-ethyl-1-benzopyran-2-one IUPAC Name: 6-chloro-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-7-ethylchromen-2-one Traditional Name: 6-chloro-4-[[2,3-dihydro-1,4-benzodioxin-3-ylmethyl(methyl)amino]methyl]-7-ethyl-coumarin Formula: C22H22ClNO4 MolecularWeight: 399.86738

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3COC4=CC=CC=C4O3)Cl

Isomeric SMILES

CCC1=C(C=C2C(=CC(=O)OC2=C1)CN(C)CC3COC4=CC=CC=C4O3)Cl

InChI

InChI=1S/C22H22ClNO4/c1-3-14-8-21-17(10-18(14)23)15(9-22(25)28-21)11-24(2)12-16-13-26-19-6-4-5-7-20(19)27-16/h4-10,16H,3,11-13H2,1-2H3