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

Systemtic Name: 2-methylpropyl (2R)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Openeye Name: isobutyl (2R)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2R)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)propionic acid isobutyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-7-16(22)14-8-9-17-15(10-14)21(19(24)20(5,6)26-17)13(4)18(23)25-11-12(2)3/h8-10,12-13H,7,11H2,1-6H3/t13-/m1/s1