[(1S,2S,5S,6R)-2,6-dimethyl-5-phenylmethoxy-cyclohex-3-en-1-yl] benzoate

Systemtic Name: [(1S,2S,5S,6R)-2,6-dimethyl-5-phenylmethoxy-cyclohex-3-en-1-yl] benzoate Openeye Name: [(1S,2S,5S,6R)-5-benzyloxy-2,6-dimethyl-cyclohex-3-en-1-yl] benzoate CAS Name: benzoic acid [(1S,2S,5S,6R)-2,6-dimethyl-5-phenylmethoxy-1-cyclohex-3-enyl] ester IUPAC Name: [(1S,2S,5S,6R)-2,6-dimethyl-5-phenylmethoxycyclohex-3-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,2S,5S,6R)-5-benzoxy-2,6-dimethyl-cyclohex-3-en-1-yl] ester Formula: C22H24O3 MolecularWeight: 336.42416

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(C1OC(=O)C2=CC=CC=C2)C)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1C=C[C@@H]([C@H]([C@H]1OC(=O)C2=CC=CC=C2)C)OCC3=CC=CC=C3

InChI

InChI=1S/C22H24O3/c1-16-13-14-20(24-15-18-9-5-3-6-10-18)17(2)21(16)25-22(23)19-11-7-4-8-12-19/h3-14,16-17,20-21H,15H2,1-2H3/t16-,17+,20-,21-/m0/s1