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

Systemtic Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propanoate Openeye Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propanoate CAS Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-(2-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(2-methoxyphenyl)propanoate Traditional Name: (2S,3R)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(2-methoxyphenyl)propionic acid ethyl ester Formula: C20H27NO4 MolecularWeight: 345.43268

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C#N)C(C1CCOC(C1)(C)C)C2=CC=CC=C2OC

Isomeric SMILES

CCOC(=O)[C@H](C#N)[C@@H]([C@@H]1CCOC(C1)(C)C)C2=CC=CC=C2OC

InChI

InChI=1S/C20H27NO4/c1-5-24-19(22)16(13-21)18(14-10-11-25-20(2,3)12-14)15-8-6-7-9-17(15)23-4/h6-9,14,16,18H,5,10-12H2,1-4H3/t14-,16-,18+/m1/s1