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

Systemtic Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid [3-(o-tolyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H24N2O4 MolecularWeight: 368.42626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC=CC=C1C2=NOC(=N2)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O

InChI

InChI=1S/C21H24N2O4/c1-13-4-2-3-5-16(13)18-22-17(27-23-18)11-26-19(24)20-7-14-6-15(8-20)10-21(25,9-14)12-20/h2-5,14-15,25H,6-12H2,1H3/t14-,15+,20?,21?