2,2,4,4-tetramethylpentan-3-yl (2S)-2-cyano-2-methyl-3-oxidanyl-propanoate

Systemtic Name: 2,2,4,4-tetramethylpentan-3-yl (2S)-2-cyano-2-methyl-3-oxidanyl-propanoate Openeye Name: (1-tert-butyl-2,2-dimethyl-propyl) (2S)-2-cyano-3-hydroxy-2-methyl-propanoate CAS Name: (2S)-2-cyano-3-hydroxy-2-methylpropanoic acid 2,2,4,4-tetramethylpentan-3-yl ester IUPAC Name: 2,2,4,4-tetramethylpentan-3-yl (2S)-2-cyano-3-hydroxy-2-methylpropanoate Traditional Name: (2S)-2-cyano-3-hydroxy-2-methyl-propionic acid (1-tert-butyl-2,2-dimethyl-propyl) ester Formula: C14H25NO3 MolecularWeight: 255.3532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C(C)(C)C)OC(=O)C(C)(CO)C#N

Isomeric SMILES

C[C@@](CO)(C#N)C(=O)OC(C(C)(C)C)C(C)(C)C

InChI

InChI=1S/C14H25NO3/c1-12(2,3)10(13(4,5)6)18-11(17)14(7,8-15)9-16/h10,16H,9H2,1-7H3/t14-/m0/s1