3-methylbutyl 2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate

Systemtic Name: 3-methylbutyl 2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2S)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid isoamyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)C(C)C

Isomeric SMILES

CC(C)CCOC(=O)CN1C2=C(C=CC(=C2)C(=O)C)O[C@H](C1=O)C(C)C

InChI

InChI=1S/C20H27NO5/c1-12(2)8-9-25-18(23)11-21-16-10-15(14(5)22)6-7-17(16)26-19(13(3)4)20(21)24/h6-7,10,12-13,19H,8-9,11H2,1-5H3/t19-/m0/s1