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

Systemtic Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: (2R)-2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: (2R)-2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]propionic acid Formula: C16H19NO5 MolecularWeight: 305.32576

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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