[(1S,3S)-3-cyclohexyl-3-oxidanyl-1-phenyl-propyl] benzoate

Systemtic Name: [(1S,3S)-3-cyclohexyl-3-oxidanyl-1-phenyl-propyl] benzoate Openeye Name: [(1S,3S)-3-cyclohexyl-3-hydroxy-1-phenyl-propyl] benzoate CAS Name: benzoic acid [(1S,3S)-3-cyclohexyl-3-hydroxy-1-phenylpropyl] ester IUPAC Name: [(1S,3S)-3-cyclohexyl-3-hydroxy-1-phenylpropyl] benzoate Traditional Name: benzoic acid [(1S,3S)-3-cyclohexyl-3-hydroxy-1-phenyl-propyl] ester Formula: C22H26O3 MolecularWeight: 338.44004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(CC(C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

Isomeric SMILES

C1CCC(CC1)[C@H](C[C@@H](C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)O

InChI

InChI=1S/C22H26O3/c23-20(17-10-4-1-5-11-17)16-21(18-12-6-2-7-13-18)25-22(24)19-14-8-3-9-15-19/h2-3,6-9,12-15,17,20-21,23H,1,4-5,10-11,16H2/t20-,21-/m0/s1