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

Systemtic Name: propyl 2-[(2S)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OCCC)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)OCCC)C

InChI

InChI=1S/C18H23NO5/c1-4-6-15(20)13-7-8-16-14(10-13)19(18(22)12(3)24-16)11-17(21)23-9-5-2/h7-8,10,12H,4-6,9,11H2,1-3H3/t12-/m0/s1