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

Systemtic Name: 3-methylbutyl 2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)ethanoate Openeye Name: isopentyl 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetate CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)acetic acid isoamyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-16(22)14-7-8-17-15(11-14)21(19(24)20(4,5)26-17)12-18(23)25-10-9-13(2)3/h7-8,11,13H,6,9-10,12H2,1-5H3