[(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-2-carboxylate

Systemtic Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-2-carboxylate Openeye Name: [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-2-carboxylate CAS Name: 2-adamantanecarboxylic acid [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] ester IUPAC Name: [(1S)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl] adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [(1S)-1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl] ester Formula: C22H26N2O3 MolecularWeight: 366.45344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)C3C4CC5CC(C4)CC3C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)[C@H](C)OC(=O)C3C4CC5CC(C4)CC3C5

InChI

InChI=1S/C22H26N2O3/c1-12-3-5-16(6-4-12)21-24-23-20(27-21)13(2)26-22(25)19-17-8-14-7-15(10-17)11-18(19)9-14/h3-6,13-15,17-19H,7-11H2,1-2H3/t13-,14?,15?,17?,18?,19?/m0/s1