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

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methoxy-chromen-2-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methoxy-chromen-2-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methoxy-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methoxychromen-2-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-7-methoxy-coumarin Formula: C20H19NO5 MolecularWeight: 353.36856

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNCC3COC4=CC=CC=C4O3

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=O)O2)CNC[C@H]3COC4=CC=CC=C4O3

InChI

InChI=1S/C20H19NO5/c1-23-14-6-7-16-13(8-20(22)26-19(16)9-14)10-21-11-15-12-24-17-4-2-3-5-18(17)25-15/h2-9,15,21H,10-12H2,1H3/t15-/m0/s1