methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2R)-2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butyric acid methyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-8-15(21)12-9-10-16-14(11-12)20(13(7-2)17(22)24-5)18(23)19(3,4)25-16/h9-11,13H,6-8H2,1-5H3/t13-/m1/s1