[(1S,2R,3R)-2-methoxy-6-oxidanylidene-3-phenylmethoxy-cyclohexyl] benzoate

Systemtic Name: [(1S,2R,3R)-2-methoxy-6-oxidanylidene-3-phenylmethoxy-cyclohexyl] benzoate Openeye Name: [(1S,2R,3R)-3-benzyloxy-2-methoxy-6-oxo-cyclohexyl] benzoate CAS Name: benzoic acid [(1S,2R,3R)-2-methoxy-6-oxo-3-phenylmethoxycyclohexyl] ester IUPAC Name: [(1S,2R,3R)-2-methoxy-6-oxo-3-phenylmethoxycyclohexyl] benzoate Traditional Name: benzoic acid [(1S,2R,3R)-3-benzoxy-6-keto-2-methoxy-cyclohexyl] ester Formula: C21H22O5 MolecularWeight: 354.39638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1C(CCC(=O)C1OC(=O)C2=CC=CC=C2)OCC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H22O5/c1-24-20-18(25-14-15-8-4-2-5-9-15)13-12-17(22)19(20)26-21(23)16-10-6-3-7-11-16/h2-11,18-20H,12-14H2,1H3/t18-,19-,20-/m1/s1