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

Systemtic Name: 3-methylbutyl 2-[(2S)-6-ethanoyl-2-methyl-3-oxidanylidene-1,4-benzoxazin-4-yl]ethanoate Openeye Name: isopentyl 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetic acid 3-methylbutyl ester IUPAC Name: 3-methylbutyl 2-[(2S)-6-acetyl-2-methyl-3-oxo-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-acetyl-3-keto-2-methyl-1,4-benzoxazin-4-yl]acetic acid isoamyl ester Formula: C18H23NO5 MolecularWeight: 333.37892

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCCC(C)C

Isomeric SMILES

C[C@H]1C(=O)N(C2=C(O1)C=CC(=C2)C(=O)C)CC(=O)OCCC(C)C

InChI

InChI=1S/C18H23NO5/c1-11(2)7-8-23-17(21)10-19-15-9-14(12(3)20)5-6-16(15)24-13(4)18(19)22/h5-6,9,11,13H,7-8,10H2,1-4H3/t13-/m0/s1