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

Systemtic Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]butanoate Openeye Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]butanoic acid methyl ester IUPAC Name: methyl (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]butanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]butyric 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(CC)C(=O)OC)C

Isomeric SMILES

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

InChI

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