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

Systemtic Name: ethyl (2R,3S)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propanoate Openeye Name: ethyl (2R,3S)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(4-methoxyphenyl)propanoate CAS Name: (2R,3S)-2-cyano-3-[(4R)-2,2-dimethyl-4-oxanyl]-3-(4-methoxyphenyl)propanoic acid ethyl ester IUPAC Name: ethyl (2R,3S)-2-cyano-3-[(4R)-2,2-dimethyloxan-4-yl]-3-(4-methoxyphenyl)propanoate Traditional Name: (2R,3S)-2-cyano-3-[(4R)-2,2-dimethyltetrahydropyran-4-yl]-3-(4-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=C(C=C2)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H27NO4/c1-5-24-19(22)17(13-21)18(14-6-8-16(23-4)9-7-14)15-10-11-25-20(2,3)12-15/h6-9,15,17-18H,5,10-12H2,1-4H3/t15-,17+,18+/m1/s1