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

Systemtic Name: 3-methylbutyl 2-[(2R)-2-methyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2R)-2-methyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2R)-2-methyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2R)-3-keto-2-methyl-6-propionyl-1,4-benzoxazin-4-yl]acetic acid isoamyl 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)N2CC(=O)OCCC(C)C)C

Isomeric SMILES

CCC(=O)C1=CC2=C(C=C1)O[C@@H](C(=O)N2CC(=O)OCCC(C)C)C

InChI

InChI=1S/C19H25NO5/c1-5-16(21)14-6-7-17-15(10-14)20(19(23)13(4)25-17)11-18(22)24-9-8-12(2)3/h6-7,10,12-13H,5,8-9,11H2,1-4H3/t13-/m1/s1