dimethyl (2R,3R)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1-dicarboxylate

Systemtic Name: dimethyl (2R,3R)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxidanylidene-ethyl]cyclohexane-1,1-dicarboxylate Openeye Name: dimethyl (2R,3R)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxo-ethyl]cyclohexane-1,1-dicarboxylate CAS Name: (2R,3R)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (2R,3R)-3-cyano-2-[2-(4-methoxyphenyl)-2-oxoethyl]cyclohexane-1,1-dicarboxylate Traditional Name: (2R,3R)-3-cyano-2-[2-keto-2-(4-methoxyphenyl)ethyl]cyclohexane-1,1-dicarboxylic acid dimethyl ester Formula: C20H23NO6 MolecularWeight: 373.39972

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)CC2C(CCCC2(C(=O)OC)C(=O)OC)C#N

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[C@@H]2[C@@H](CCCC2(C(=O)OC)C(=O)OC)C#N

InChI

InChI=1S/C20H23NO6/c1-25-15-8-6-13(7-9-15)17(22)11-16-14(12-21)5-4-10-20(16,18(23)26-2)19(24)27-3/h6-9,14,16H,4-5,10-11H2,1-3H3/t14-,16+/m0/s1