methyl (1R,2S,3S,4R)-3-cyano-6-oxidanylidene-2,3,4-triphenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1R,2S,3S,4R)-3-cyano-6-oxidanylidene-2,3,4-triphenyl-cyclohexane-1-carboxylate Openeye Name: methyl (1R,2S,3S,4R)-3-cyano-6-oxo-2,3,4-triphenyl-cyclohexanecarboxylate CAS Name: (1R,2S,3S,4R)-3-cyano-6-oxo-2,3,4-triphenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1R,2S,3S,4R)-3-cyano-6-oxo-2,3,4-triphenylcyclohexane-1-carboxylate Traditional Name: (1R,2S,3S,4R)-3-cyano-6-keto-2,3,4-triphenyl-cyclohexanecarboxylic acid methyl ester Formula: C27H23NO3 MolecularWeight: 409.47642

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C(C(C(CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)[C@@H]1[C@H]([C@]([C@H](CC1=O)C2=CC=CC=C2)(C#N)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c1-31-26(30)24-23(29)17-22(19-11-5-2-6-12-19)27(18-28,21-15-9-4-10-16-21)25(24)20-13-7-3-8-14-20/h2-16,22,24-25H,17H2,1H3/t22-,24+,25-,27-/m1/s1