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

Systemtic Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]propanoic acid Openeye Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid CAS Name: 3-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]propanoic acid IUPAC Name: 3-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]propanoic acid Traditional Name: 3-[(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)N2CCC(=O)O)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CCC(=O)O)C

InChI

InChI=1S/C16H19NO5/c1-3-4-13(18)11-5-6-14-12(9-11)17(8-7-15(19)20)16(21)10(2)22-14/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,19,20)/t10-/m1/s1