(2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate

Systemtic Name: (2S)-2-[(2R)-6-ethanoyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Openeye Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate CAS Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate IUPAC Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2S)-2-[(2R)-6-acetyl-2-methyl-2,3-dihydro-1,4-benzoxazin-4-yl]butyrate Formula: C15H18NO4- MolecularWeight: 276.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)[O-])N1CC(OC2=C1C=C(C=C2)C(=O)C)C

Isomeric SMILES

CC[C@@H](C(=O)[O-])N1C[C@H](OC2=C1C=C(C=C2)C(=O)C)C

InChI

InChI=1S/C15H19NO4/c1-4-12(15(18)19)16-8-9(2)20-14-6-5-11(10(3)17)7-13(14)16/h5-7,9,12H,4,8H2,1-3H3,(H,18,19)/p-1/t9-,12+/m1/s1