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

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-bromanyl-1-adamantyl)ethanoate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-bromo-1-adamantyl)acetate CAS Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 2-(3-bromo-1-adamantyl)acetate Traditional Name: 2-(3-bromo-1-adamantyl)acetic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H25BrN2O4 MolecularWeight: 461.3489

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CC34CC5CC(C3)CC(C5)(C4)Br

InChI

InChI=1S/C22H25BrN2O4/c1-27-17-4-2-16(3-5-17)20-24-18(29-25-20)12-28-19(26)11-21-7-14-6-15(8-21)10-22(23,9-14)13-21/h2-5,14-15H,6-13H2,1H3