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

Systemtic Name: 3-methylbutyl (2R)-2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Openeye Name: isopentyl (2R)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate CAS Name: (2R)-2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl (2R)-2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2R)-2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)propionic 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)OCC(=O)N2C(C)C(=O)OCCC(C)C

Isomeric SMILES

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

InChI

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