methyl (2S,6R)-1-cyano-4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (2S,6R)-1-cyano-4-(1-cyano-2-methoxy-2-oxidanylidene-ethyl)-2,6-diphenyl-cyclohexane-1-carboxylate Openeye Name: methyl (2S,6R)-1-cyano-4-(1-cyano-2-methoxy-2-oxo-ethyl)-2,6-diphenyl-cyclohexanecarboxylate CAS Name: (2S,6R)-1-cyano-4-(1-cyano-2-methoxy-2-oxoethyl)-2,6-diphenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (2S,6R)-1-cyano-4-(1-cyano-2-methoxy-2-oxoethyl)-2,6-diphenylcyclohexane-1-carboxylate Traditional Name: (2S,6R)-1-cyano-4-(1-cyano-2-keto-2-methoxy-ethyl)-2,6-diphenyl-cyclohexanecarboxylic acid methyl ester Formula: C25H24N2O4 MolecularWeight: 416.46906

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C1CC(C(C(C1)C2=CC=CC=C2)(C#N)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C#N)C1C[C@@H](C([C@@H](C1)C2=CC=CC=C2)(C#N)C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C25H24N2O4/c1-30-23(28)20(15-26)19-13-21(17-9-5-3-6-10-17)25(16-27,24(29)31-2)22(14-19)18-11-7-4-8-12-18/h3-12,19-22H,13-14H2,1-2H3/t19?,20?,21-,22+,25?