(2R)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoic acid

Systemtic Name: (2R)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoic acid Openeye Name: (2R)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoic acid CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoic acid Traditional Name: (2R)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)propionic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO5/c1-5-12(18)10-6-7-13-11(8-10)17(9(2)14(19)20)15(21)16(3,4)22-13/h6-9H,5H2,1-4H3,(H,19,20)/t9-/m1/s1