(2R)-2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoic acid

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-5-7-14(20)11-8-9-15-13(10-11)19(12(6-2)16(21)22)17(23)18(3,4)24-15/h8-10,12H,5-7H2,1-4H3,(H,21,22)/t12-/m1/s1