4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one

Systemtic Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one Openeye Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylene]-5-(hydroxymethyl)-2-methyl-pyridin-3-one CAS Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-5-(hydroxymethyl)-2-methyl-3-pyridinone IUPAC Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylidene]-5-(hydroxymethyl)-2-methylpyridin-3-one Traditional Name: 4-[[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methylamino]methylene]-2-methyl-5-methylol-pyridin-3-one Formula: C17H18N2O4 MolecularWeight: 314.33582

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=CNCC2COC3=CC=CC=C3O2)C1=O)CO

Isomeric SMILES

CC1=NC=C(C(=CNC[C@H]2COC3=CC=CC=C3O2)C1=O)CO

InChI

InChI=1S/C17H18N2O4/c1-11-17(21)14(12(9-20)6-19-11)8-18-7-13-10-22-15-4-2-3-5-16(15)23-13/h2-6,8,13,18,20H,7,9-10H2,1H3/t13-/m0/s1