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

Systemtic Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)propanoate Openeye Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid methyl ester IUPAC Name: methyl (2R)-2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)propionic acid methyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-6-7-14(20)12-8-9-15-13(10-12)19(11(2)16(21)23-5)17(22)18(3,4)24-15/h8-11H,6-7H2,1-5H3/t11-/m1/s1