[(2S,3R)-3-cyano-6-oxidanylidene-5-(phenylmethyl)-2-propan-2-yl-2H-1,4-oxazin-3-yl]methyl 2,2-dimethylpropanoate

Systemtic Name: [(2S,3R)-3-cyano-6-oxidanylidene-5-(phenylmethyl)-2-propan-2-yl-2H-1,4-oxazin-3-yl]methyl 2,2-dimethylpropanoate Openeye Name: [(2S,3R)-5-benzyl-3-cyano-2-isopropyl-6-oxo-2H-1,4-oxazin-3-yl]methyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid [(2S,3R)-3-cyano-6-oxo-5-(phenylmethyl)-2-propan-2-yl-2H-1,4-oxazin-3-yl]methyl ester IUPAC Name: [(2S,3R)-5-benzyl-3-cyano-6-oxo-2-propan-2-yl-2H-1,4-oxazin-3-yl]methyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid [(2S,3R)-5-benzyl-3-cyano-2-isopropyl-6-keto-2H-1,4-oxazin-3-yl]methyl ester Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(N=C(C(=O)O1)CC2=CC=CC=C2)(COC(=O)C(C)(C)C)C#N

Isomeric SMILES

CC(C)[C@H]1[C@](N=C(C(=O)O1)CC2=CC=CC=C2)(COC(=O)C(C)(C)C)C#N

InChI

InChI=1S/C21H26N2O4/c1-14(2)17-21(12-22,13-26-19(25)20(3,4)5)23-16(18(24)27-17)11-15-9-7-6-8-10-15/h6-10,14,17H,11,13H2,1-5H3/t17-,21+/m0/s1