[(2R)-butan-2-yl] (2R)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [(2R)-butan-2-yl] (2R)-2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: [(1R)-1-methylpropyl] (2R)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid [(2R)-butan-2-yl] ester IUPAC Name: [(2R)-butan-2-yl] (2R)-2-(6-butanoyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(6-butyryl-3-keto-1,4-benzoxazin-4-yl)propionic acid [(1R)-1-methylpropyl] ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OCC(=O)N2C(C)C(=O)OC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-5-7-16(21)14-8-9-17-15(10-14)20(18(22)11-24-17)13(4)19(23)25-12(3)6-2/h8-10,12-13H,5-7,11H2,1-4H3/t12-,13-/m1/s1