propyl (2S)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: propyl (2S)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: propyl (2S)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid propyl ester IUPAC Name: propyl (2S)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)propionic 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)OCC(=O)N2C(C)C(=O)OCCC

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2[C@@H](C)C(=O)OCCC

InChI

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