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

Systemtic Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoate Openeye Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid methyl ester Formula: C17H21NO5 MolecularWeight: 319.35234

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-5-6-14(19)12-7-8-15-13(9-12)18(10(2)17(21)22-4)16(20)11(3)23-15/h7-11H,5-6H2,1-4H3/t10-,11-/m1/s1