(4-ethanoyl-2-methoxy-phenyl) 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate

Systemtic Name: (4-ethanoyl-2-methoxy-phenyl) 3-[(2S)-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: (4-acetyl-2-methoxy-phenyl) 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid (4-acetyl-2-methoxyphenyl) ester IUPAC Name: (4-acetyl-2-methoxyphenyl) 3-[(2S)-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2S)-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid (4-acetyl-2-methoxy-phenyl) ester Formula: C21H21NO6 MolecularWeight: 383.39454

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)C(=O)C)OC

Isomeric SMILES

C[C@H]1C(=O)N(C2=CC=CC=C2O1)CCC(=O)OC3=C(C=C(C=C3)C(=O)C)OC

InChI

InChI=1S/C21H21NO6/c1-13(23)15-8-9-18(19(12-15)26-3)28-20(24)10-11-22-16-6-4-5-7-17(16)27-14(2)21(22)25/h4-9,12,14H,10-11H2,1-3H3/t14-/m0/s1