[(2S)-butan-2-yl] (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate

Systemtic Name: [(2S)-butan-2-yl] (2S)-2-(2,2-dimethyl-3-oxidanylidene-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Openeye Name: [(1S)-1-methylpropyl] (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate CAS Name: (2S)-2-[2,2-dimethyl-3-oxo-6-(1-oxopropyl)-1,4-benzoxazin-4-yl]propanoic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (2S)-2-(2,2-dimethyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl)propanoate Traditional Name: (2S)-2-(3-keto-2,2-dimethyl-6-propionyl-1,4-benzoxazin-4-yl)propionic acid [(1S)-1-methylpropyl] ester Formula: C20H27NO5 MolecularWeight: 361.43208

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO5/c1-7-12(3)25-18(23)13(4)21-15-11-14(16(22)8-2)9-10-17(15)26-20(5,6)19(21)24/h9-13H,7-8H2,1-6H3/t12-,13-/m0/s1