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

Systemtic Name: pentyl 2-[(2S)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: pentyl 2-[(2S)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid pentyl ester IUPAC Name: pentyl 2-[(2S)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]acetic acid amyl ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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