[(1S,2R,3S)-3-cyano-2-phenyl-3-(phenylcarbonyl)cyclohexyl] benzoate

Systemtic Name: [(1S,2R,3S)-3-cyano-2-phenyl-3-(phenylcarbonyl)cyclohexyl] benzoate Openeye Name: [(1S,2R,3S)-3-benzoyl-3-cyano-2-phenyl-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3S)-3-benzoyl-3-cyano-2-phenylcyclohexyl] ester IUPAC Name: [(1S,2R,3S)-3-benzoyl-3-cyano-2-phenylcyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3S)-3-benzoyl-3-cyano-2-phenyl-cyclohexyl] ester Formula: C27H23NO3 MolecularWeight: 409.47642

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(C(C1)(C#N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

Isomeric SMILES

C1C[C@@H]([C@@H]([C@@](C1)(C#N)C(=O)C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)C4=CC=CC=C4

InChI

InChI=1S/C27H23NO3/c28-19-27(25(29)21-13-6-2-7-14-21)18-10-17-23(24(27)20-11-4-1-5-12-20)31-26(30)22-15-8-3-9-16-22/h1-9,11-16,23-24H,10,17-18H2/t23-,24-,27+/m0/s1