ethyl (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenyl-cyclohexene-1-carboxylate

Systemtic Name: ethyl (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenyl-cyclohexene-1-carboxylate Openeye Name: ethyl (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenyl-cyclohexene-1-carboxylate CAS Name: (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenyl-1-cyclohexenecarboxylic acid ethyl ester IUPAC Name: ethyl (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenylcyclohexene-1-carboxylate Traditional Name: (4S,6R)-6-(4-bromophenyl)-5,5-dicyano-4-phenyl-cyclohexene-1-carboxylic acid ethyl ester Formula: C23H19BrN2O2 MolecularWeight: 435.31316

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CCC(C(C1C2=CC=C(C=C2)Br)(C#N)C#N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CC[C@H](C([C@H]1C2=CC=C(C=C2)Br)(C#N)C#N)C3=CC=CC=C3

InChI

InChI=1S/C23H19BrN2O2/c1-2-28-22(27)19-12-13-20(16-6-4-3-5-7-16)23(14-25,15-26)21(19)17-8-10-18(24)11-9-17/h3-12,20-21H,2,13H2,1H3/t20-,21-/m0/s1