[(1S,4S,5R,6R)-4,6-dimethyl-5-phenylmethoxy-cyclohex-2-en-1-yl] benzoate

Systemtic Name: [(1S,4S,5R,6R)-4,6-dimethyl-5-phenylmethoxy-cyclohex-2-en-1-yl] benzoate Openeye Name: [(1S,4S,5R,6R)-5-benzyloxy-4,6-dimethyl-cyclohex-2-en-1-yl] benzoate CAS Name: benzoic acid [(1S,4S,5R,6R)-4,6-dimethyl-5-phenylmethoxy-1-cyclohex-2-enyl] ester IUPAC Name: [(1S,4S,5R,6R)-4,6-dimethyl-5-phenylmethoxycyclohex-2-en-1-yl] benzoate Traditional Name: benzoic acid [(1S,4S,5R,6R)-5-benzoxy-4,6-dimethyl-cyclohex-2-en-1-yl] ester Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CC1C=CC(C(C1OCC2=CC=CC=C2)C)OC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H]1C=C[C@@H]([C@@H]([C@@H]1OCC2=CC=CC=C2)C)OC(=O)C3=CC=CC=C3

InChI

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