[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate

Systemtic Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate Openeye Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H26N2O5 MolecularWeight: 398.45224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3C4CC5CC(C4)CC3C5)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C3C4CC5CC(C4)CC3C5)OC

InChI

InChI=1S/C22H26N2O5/c1-26-16-3-4-17(18(10-16)27-2)21-23-19(29-24-21)11-28-22(25)20-14-6-12-5-13(8-14)9-15(20)7-12/h3-4,10,12-15,20H,5-9,11H2,1-2H3