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

Systemtic Name: hexyl 2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: hexyl 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 hexyl ester IUPAC Name: hexyl 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 hexyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-5-6-7-8-11-26-19(24)13-22-17-12-16(15(4)23)9-10-18(17)27-20(14(2)3)21(22)25/h9-10,12,14,20H,5-8,11,13H2,1-4H3/t20-/m0/s1