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

Systemtic Name: 3-methylbutyl 2-(3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanoate Openeye Name: isopentyl 2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetate CAS Name: 2-[3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-6-propionyl-1,4-benzoxazin-4-yl)acetic acid isoamyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO5/c1-4-15(20)13-5-6-16-14(9-13)19(17(21)11-24-16)10-18(22)23-8-7-12(2)3/h5-6,9,12H,4,7-8,10-11H2,1-3H3