2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-oxidanyl-cyclohexyl]ethyl 2,2-dimethylpropanoate

Systemtic Name: 2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-oxidanyl-cyclohexyl]ethyl 2,2-dimethylpropanoate Openeye Name: 2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-hydroxy-cyclohexyl]ethyl 2,2-dimethylpropanoate CAS Name: 2,2-dimethylpropanoic acid 2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-hydroxycyclohexyl]ethyl ester IUPAC Name: 2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-hydroxycyclohexyl]ethyl 2,2-dimethylpropanoate Traditional Name: 2,2-dimethylpropionic acid 2-[(1S,2R)-1-(2,3-dimethoxyphenyl)-2-hydroxy-cyclohexyl]ethyl ester Formula: C21H32O5 MolecularWeight: 364.47578

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(=O)OCCC1(CCCCC1O)C2=C(C(=CC=C2)OC)OC

Isomeric SMILES

CC(C)(C)C(=O)OCC[C@@]1(CCCC[C@H]1O)C2=C(C(=CC=C2)OC)OC

InChI

InChI=1S/C21H32O5/c1-20(2,3)19(23)26-14-13-21(12-7-6-11-17(21)22)15-9-8-10-16(24-4)18(15)25-5/h8-10,17,22H,6-7,11-14H2,1-5H3/t17-,21+/m1/s1