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

Systemtic Name: 2-methylpropyl (2R)-2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]propanoate Openeye Name: isobutyl (2R)-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: (2R)-2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2R)-2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2R)-2-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]propionic acid isobutyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H25NO5/c1-6-16(21)14-7-8-17-15(9-14)20(18(22)13(5)25-17)12(4)19(23)24-10-11(2)3/h7-9,11-13H,6,10H2,1-5H3/t12-,13-/m1/s1