4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C21H21NO5 MolecularWeight: 367.39514

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNCC3COC4=CC=CC=C4O3)O

Isomeric SMILES

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CNC[C@H]3COC4=CC=CC=C4O3)O

InChI

InChI=1S/C21H21NO5/c1-2-13-7-16-14(8-21(24)27-20(16)9-17(13)23)10-22-11-15-12-25-18-5-3-4-6-19(18)26-15/h3-9,15,22-23H,2,10-12H2,1H3/t15-/m0/s1