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

Systemtic Name: (2R)-2-[(2R)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: (2R)-2-[(2R)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate IUPAC Name: (2R)-2-[(2R)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionate Formula: C18H22NO5- MolecularWeight: 332.37098

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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(C)C

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-5-6-14(20)12-7-8-15-13(9-12)19(11(4)18(22)23)17(21)16(24-15)10(2)3/h7-11,16H,5-6H2,1-4H3,(H,22,23)/p-1/t11-,16-/m1/s1