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

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C23H28N2O4 MolecularWeight: 396.47942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O4/c1-14(2)17-3-5-18(6-4-17)20-24-19(29-25-20)12-28-21(26)22-8-15-7-16(9-22)11-23(27,10-15)13-22/h3-6,14-16,27H,7-13H2,1-2H3/t15-,16+,22?,23?