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

Systemtic Name: 3-[(2R)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: 3-[(2R)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: 3-[(2R)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate IUPAC Name: 3-[(2R)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: 3-[(2R)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]propionate Formula: C17H20NO5- MolecularWeight: 318.3444

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CCC(=O)[O-])C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO5/c1-4-13(19)11-5-6-14-12(9-11)18(8-7-15(20)21)17(22)16(23-14)10(2)3/h5-6,9-10,16H,4,7-8H2,1-3H3,(H,20,21)/p-1/t16-/m1/s1