(5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate

Systemtic Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate Openeye Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(p-tolyl)adamantane-1-carboxylate CAS Name: 3-(4-methylphenyl)-1-adamantanecarboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-phenyl-1,3,4-oxadiazol-2-yl)methyl 3-(4-methylphenyl)adamantane-1-carboxylate Traditional Name: 3-(p-tolyl)adamantane-1-carboxylic acid (5-phenyl-1,3,4-oxadiazol-2-yl)methyl ester Formula: C27H28N2O3 MolecularWeight: 428.52282

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NN=C(O5)C6=CC=CC=C6

Isomeric SMILES

CC1=CC=C(C=C1)C23CC4CC(C2)CC(C4)(C3)C(=O)OCC5=NN=C(O5)C6=CC=CC=C6

InChI

InChI=1S/C27H28N2O3/c1-18-7-9-22(10-8-18)26-12-19-11-20(13-26)15-27(14-19,17-26)25(30)31-16-23-28-29-24(32-23)21-5-3-2-4-6-21/h2-10,19-20H,11-17H2,1H3