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

Systemtic Name: [(2S)-butan-2-yl] (2S)-2-[(2R)-3-oxidanylidene-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Openeye Name: [(1S)-1-methylpropyl] (2S)-2-[(2R)-2-isopropyl-3-oxo-6-propanoyl-1,4-benzoxazin-4-yl]propanoate CAS Name: (2S)-2-[(2R)-3-oxo-6-(1-oxopropyl)-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoic acid [(2S)-butan-2-yl] ester IUPAC Name: [(2S)-butan-2-yl] (2S)-2-[(2R)-3-oxo-6-propanoyl-2-propan-2-yl-1,4-benzoxazin-4-yl]propanoate Traditional Name: (2S)-2-[(2R)-2-isopropyl-3-keto-6-propionyl-1,4-benzoxazin-4-yl]propionic acid [(1S)-1-methylpropyl] ester Formula: C21H29NO5 MolecularWeight: 375.45866

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C21H29NO5/c1-7-13(5)26-21(25)14(6)22-16-11-15(17(23)8-2)9-10-18(16)27-19(12(3)4)20(22)24/h9-14,19H,7-8H2,1-6H3/t13-,14-,19+/m0/s1