(2S)-6-methyl-2-[(1S)-1-oxidanylbutyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: (2S)-6-methyl-2-[(1S)-1-oxidanylbutyl]-4H-1,4-benzoxazin-3-one Openeye Name: (2S)-2-[(1S)-1-hydroxybutyl]-6-methyl-4H-1,4-benzoxazin-3-one CAS Name: (2S)-2-[(1S)-1-hydroxybutyl]-6-methyl-4H-1,4-benzoxazin-3-one IUPAC Name: (2S)-2-[(1S)-1-hydroxybutyl]-6-methyl-4H-1,4-benzoxazin-3-one Traditional Name: (2S)-2-[(1S)-1-hydroxybutyl]-6-methyl-4H-1,4-benzoxazin-3-one Formula: C13H17NO3 MolecularWeight: 235.27898

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1C(=O)NC2=C(O1)C=CC(=C2)C)O

Isomeric SMILES

CCC[C@@H]([C@H]1C(=O)NC2=C(O1)C=CC(=C2)C)O

InChI

InChI=1S/C13H17NO3/c1-3-4-10(15)12-13(16)14-9-7-8(2)5-6-11(9)17-12/h5-7,10,12,15H,3-4H2,1-2H3,(H,14,16)/t10-,12-/m0/s1