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

Systemtic Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl ester IUPAC Name: 1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid 1-[5-(p-tolyl)-1,3,4-oxadiazol-2-yl]ethyl ester Formula: C23H27BrN2O3 MolecularWeight: 459.37608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(O2)C(C)OC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C23H27BrN2O3/c1-14-3-5-18(6-4-14)21-26-25-20(29-21)15(2)28-19(27)12-22-8-16-7-17(9-22)11-23(24,10-16)13-22/h3-6,15-17H,7-13H2,1-2H3