methyl (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate

Systemtic Name: methyl (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-oxidanylidene-6-phenyl-cyclohexane-1-carboxylate Openeye Name: methyl (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-oxo-6-phenyl-cyclohexanecarboxylate CAS Name: (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-oxo-6-phenyl-1-cyclohexanecarboxylic acid methyl ester IUPAC Name: methyl (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-oxo-6-phenylcyclohexane-1-carboxylate Traditional Name: (1S,2R,6S)-2-(4-bromophenyl)-1-cyano-4-keto-6-phenyl-cyclohexanecarboxylic acid methyl ester Formula: C21H18BrNO3 MolecularWeight: 412.27652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1(C(CC(=O)CC1C2=CC=C(C=C2)Br)C3=CC=CC=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H18BrNO3/c1-26-20(25)21(13-23)18(14-5-3-2-4-6-14)11-17(24)12-19(21)15-7-9-16(22)10-8-15/h2-10,18-19H,11-12H2,1H3/t18-,19+,21-/m0/s1