[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamidoadamantane-1-carboxylate

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamidoadamantane-1-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamidoadamantane-1-carboxylate CAS Name: 3-acetamido-1-adamantanecarboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl 3-acetamidoadamantane-1-carboxylate Traditional Name: 3-acetamidoadamantane-1-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H24BrN3O4 MolecularWeight: 474.34766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NC(=NO4)C5=CC(=CC=C5)Br

Isomeric SMILES

CC(=O)NC12CC3CC(C1)CC(C3)(C2)C(=O)OCC4=NC(=NO4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C22H24BrN3O4/c1-13(27)25-22-9-14-5-15(10-22)8-21(7-14,12-22)20(28)29-11-18-24-19(26-30-18)16-3-2-4-17(23)6-16/h2-4,6,14-15H,5,7-12H2,1H3,(H,25,27)