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

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]methyl]-6-ethyl-7-oxidanyl-chromen-2-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]methyl]-6-ethyl-7-hydroxy-chromen-2-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]methyl]-6-ethyl-7-hydroxy-1-benzopyran-2-one IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethylamino]methyl]-6-ethyl-7-hydroxychromen-2-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl-ethyl-amino]methyl]-6-ethyl-7-hydroxy-coumarin Formula: C23H25NO5 MolecularWeight: 395.4483

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C2C(=C1)C(=CC(=O)O2)CN(CC)CC3COC4=CC=CC=C4O3)O

Isomeric SMILES

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

InChI

InChI=1S/C23H25NO5/c1-3-15-9-18-16(10-23(26)29-22(18)11-19(15)25)12-24(4-2)13-17-14-27-20-7-5-6-8-21(20)28-17/h5-11,17,25H,3-4,12-14H2,1-2H3/t17-/m0/s1