[2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate

Systemtic Name: [2-(2,5-dimethoxyphenyl)-2-oxidanylidene-ethyl] 2-[(5S,7R)-3-oxidanyl-1-adamantyl]ethanoate Openeye Name: [2-(2,5-dimethoxyphenyl)-2-oxo-ethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate CAS Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(2,5-dimethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethoxyphenyl)-2-oxoethyl] 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetate Traditional Name: 2-[(5S,7R)-3-hydroxy-1-adamantyl]acetic acid [2-(2,5-dimethoxyphenyl)-2-keto-ethyl] ester Formula: C22H28O6 MolecularWeight: 388.45412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CC23CC4CC(C2)CC(C4)(C3)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(=O)COC(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O

InChI

InChI=1S/C22H28O6/c1-26-16-3-4-19(27-2)17(6-16)18(23)12-28-20(24)11-21-7-14-5-15(8-21)10-22(25,9-14)13-21/h3-4,6,14-15,25H,5,7-13H2,1-2H3/t14-,15+,21?,22?