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

Systemtic Name: 2-methylpropyl 2-(6-butanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoate Openeye Name: isobutyl 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetate CAS Name: 2-[2,2-dimethyl-3-oxo-6-(1-oxobutyl)-1,4-benzoxazin-4-yl]acetic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 2-(6-butanoyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)acetate Traditional Name: 2-(6-butyryl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)acetic acid isobutyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-7-16(22)14-8-9-17-15(10-14)21(19(24)20(4,5)26-17)11-18(23)25-12-13(2)3/h8-10,13H,6-7,11-12H2,1-5H3