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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)C4)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)C4)OC

InChI

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