3-methylbutyl (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: 3-methylbutyl (2S)-2-(6-ethanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: isopentyl (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2S)-2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-1,4-benzoxazin-4-yl)propionic acid isoamyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-11(2)7-8-23-18(22)12(3)19-15-9-14(13(4)20)5-6-16(15)24-10-17(19)21/h5-6,9,11-12H,7-8,10H2,1-4H3/t12-/m0/s1