3-methylbutyl 2-(6-butanoyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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