2-methylpropyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate

Systemtic Name: 2-methylpropyl (2S)-2-(6-ethanoyl-2,2-dimethyl-3-oxidanylidene-1,4-benzoxazin-4-yl)butanoate Openeye Name: isobutyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate CAS Name: (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl (2S)-2-(6-acetyl-2,2-dimethyl-3-oxo-1,4-benzoxazin-4-yl)butanoate Traditional Name: (2S)-2-(6-acetyl-3-keto-2,2-dimethyl-1,4-benzoxazin-4-yl)butyric acid isobutyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)OCC(C)C)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

Isomeric SMILES

CC[C@@H](C(=O)OCC(C)C)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)(C)C

InChI

InChI=1S/C20H27NO5/c1-7-15(18(23)25-11-12(2)3)21-16-10-14(13(4)22)8-9-17(16)26-20(5,6)19(21)24/h8-10,12,15H,7,11H2,1-6H3/t15-/m0/s1