[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4/c1-2-14-3-5-17(6-4-14)19-23-18(28-24-19)12-27-20(25)21-8-15-7-16(9-21)11-22(26,10-15)13-21/h3-6,15-16,26H,2,7-13H2,1H3/t15-,16+,21?,22?