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

Systemtic Name: butyl (2S)-2-[(2S)-6-ethanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: butyl (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid butyl ester IUPAC Name: butyl (2S)-2-[(2S)-6-acetyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2S)-6-acetyl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]propionic acid butyl ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C(C)N1C2=C(C=CC(=C2)C(=O)C)OC(C1=O)C(C)C

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-6-7-10-25-20(24)13(4)21-16-11-15(14(5)22)8-9-17(16)26-18(12(2)3)19(21)23/h8-9,11-13,18H,6-7,10H2,1-5H3/t13-,18-/m0/s1