4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methylamino]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-methyl-amino]methyl]-7-methoxy-coumarin Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

Isomeric SMILES

CN(C[C@H]1COC2=CC=CC=C2O1)CC3=CC(=O)OC4=C3C=CC(=C4)OC

InChI

InChI=1S/C21H21NO5/c1-22(12-16-13-25-18-5-3-4-6-19(18)26-16)11-14-9-21(23)27-20-10-15(24-2)7-8-17(14)20/h3-10,16H,11-13H2,1-2H3/t16-/m0/s1