[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3-oxidanyl-1-adamantyl)ethanoate

Systemtic Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3-oxidanyl-1-adamantyl)ethanoate Openeye Name: [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3-hydroxy-1-adamantyl)acetate CAS Name: 2-(3-hydroxy-1-adamantyl)acetic acid [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl ester IUPAC Name: [5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methyl 2-(3-hydroxy-1-adamantyl)acetate Traditional Name: 2-(3-hydroxy-1-adamantyl)acetic acid [5-(p-tolyl)-1,2,4-oxadiazol-3-yl]methyl ester Formula: C22H26N2O4 MolecularWeight: 382.45284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=NO2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C22H26N2O4/c1-14-2-4-17(5-3-14)20-23-18(24-28-20)12-27-19(25)11-21-7-15-6-16(8-21)10-22(26,9-15)13-21/h2-5,15-16,26H,6-13H2,1H3