methyl (2S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-oxidanylidene-cyclohexane-1-carboxylate

Systemtic Name: methyl (2S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-oxidanylidene-cyclohexane-1-carboxylate Openeye Name: methyl (2S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-oxo-cyclohexanecarboxylate CAS Name: (2S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-oxo-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-1-cyano-2,6-bis(4-methoxyphenyl)-4-oxocyclohexane-1-carboxylate Traditional Name: (2S,6R)-1-cyano-4-keto-2,6-bis(4-methoxyphenyl)cyclohexanecarboxylic acid methyl ester Formula: C23H23NO5 MolecularWeight: 393.43242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CC(=O)CC(C2(C#N)C(=O)OC)C3=CC=C(C=C3)OC

Isomeric SMILES

COC1=CC=C(C=C1)[C@H]2CC(=O)C[C@H](C2(C#N)C(=O)OC)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H23NO5/c1-27-18-8-4-15(5-9-18)20-12-17(25)13-21(23(20,14-24)22(26)29-3)16-6-10-19(28-2)11-7-16/h4-11,20-21H,12-13H2,1-3H3/t20-,21+,23?