ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propanoate

Systemtic Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenyl-propanoate Openeye Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propanoate CAS Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-phenylpropanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-phenylpropanoate Traditional Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-phenyl-propionic acid ethyl ester Formula: C19H25NO3 MolecularWeight: 315.4067

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1CCOC(C1)(C)C)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@@H]([C@@H]1CCOC(C1)(C)C)C2=CC=CC=C2

InChI

InChI=1S/C19H25NO3/c1-4-22-18(21)16(13-20)17(14-8-6-5-7-9-14)15-10-11-23-19(2,3)12-15/h5-9,15-17H,4,10-12H2,1-3H3/t15-,16-,17-/m1/s1