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

Systemtic Name: 2-methylpropyl 2-[(2R)-6-butanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isobutyl 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-2-methyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-[(2R)-6-butanoyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-6-butyryl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid isobutyl ester Formula: C19H25NO5 MolecularWeight: 347.4055

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OCC(C)C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)OCC(C)C)C

InChI

InChI=1S/C19H25NO5/c1-5-6-16(21)14-7-8-17-15(9-14)20(19(23)13(4)25-17)10-18(22)24-11-12(2)3/h7-9,12-13H,5-6,10-11H2,1-4H3/t13-/m1/s1