butyl 2-[(2S)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: butyl 2-[(2S)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: butyl 2-[(2S)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetic acid butyl ester IUPAC Name: butyl 2-[(2S)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid butyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)CCC)OC(C1=O)C

Isomeric SMILES

CCCCOC(=O)CN1C2=C(C=CC(=C2)C(=O)CCC)O[C@H](C1=O)C

InChI

InChI=1S/C19H25NO5/c1-4-6-10-24-18(22)12-20-15-11-14(16(21)7-5-2)8-9-17(15)25-13(3)19(20)23/h8-9,11,13H,4-7,10,12H2,1-3H3/t13-/m0/s1