butyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: butyl (2S)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Openeye Name: butyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)propionic acid butyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

Isomeric SMILES

CCCCOC(=O)[C@H](C)N1C(=O)COC2=C1C=C(C=C2)C(=O)CC

InChI

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