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

Systemtic Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenyl-butanoate Openeye Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butanoate CAS Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyl-4-oxanyl]-4-phenylbutanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-4-phenylbutanoate Traditional Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-4-phenyl-butyric acid ethyl ester Formula: C20H27NO3 MolecularWeight: 329.43328

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(CC1=CC=CC=C1)C2CCOC(C2)(C)C

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@H](CC1=CC=CC=C1)[C@@H]2CCOC(C2)(C)C

InChI

InChI=1S/C20H27NO3/c1-4-23-19(22)18(14-21)17(12-15-8-6-5-7-9-15)16-10-11-24-20(2,3)13-16/h5-9,16-18H,4,10-13H2,1-3H3/t16-,17-,18-/m1/s1