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

Systemtic Name: [(2S)-butan-2-yl] 2-[(2S)-6-butanoyl-3-oxidanylidene-2-propan-2-yl-1,4-benzoxazin-4-yl]ethanoate Openeye Name: [(1S)-1-methylpropyl] 2-[(2S)-6-butanoyl-2-isopropyl-3-oxo-1,4-benzoxazin-4-yl]acetate CAS Name: 2-[(2S)-3-oxo-6-(1-oxobutyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]acetic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] 2-[(2S)-6-butanoyl-3-oxo-2-propan-2-yl-1,4-benzoxazin-4-yl]acetate Traditional Name: 2-[(2S)-6-butyryl-2-isopropyl-3-keto-1,4-benzoxazin-4-yl]acetic acid [(1S)-1-methylpropyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=CC2=C(C=C1)OC(C(=O)N2CC(=O)OC(C)CC)C(C)C

Isomeric SMILES

CCCC(=O)C1=CC2=C(C=C1)O[C@H](C(=O)N2CC(=O)O[C@@H](C)CC)C(C)C

InChI

InChI=1S/C21H29NO5/c1-6-8-17(23)15-9-10-18-16(11-15)22(12-19(24)26-14(5)7-2)21(25)20(27-18)13(3)4/h9-11,13-14,20H,6-8,12H2,1-5H3/t14-,20-/m0/s1