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

Systemtic Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate Openeye Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate CAS Name: 1-adamantanecarboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl adamantane-1-carboxylate Traditional Name: adamantane-1-carboxylic acid [5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C23H28N2O6 MolecularWeight: 428.47822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NN=C(O2)COC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H28N2O6/c1-27-17-7-16(8-18(28-2)20(17)29-3)21-25-24-19(31-21)12-30-22(26)23-9-13-4-14(10-23)6-15(5-13)11-23/h7-8,13-15H,4-6,9-12H2,1-3H3