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

Systemtic Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate Openeye Name: [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl adamantane-2-carboxylate CAS Name: 2-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 adamantane-2-carboxylate Traditional Name: adamantane-2-carboxylic acid [3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C20H21BrN2O3 MolecularWeight: 417.29634

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3C(=O)OCC4=NC(=NO4)C5=CC(=CC=C5)Br

Isomeric SMILES

C1C2CC3CC1CC(C2)C3C(=O)OCC4=NC(=NO4)C5=CC(=CC=C5)Br

InChI

InChI=1S/C20H21BrN2O3/c21-16-3-1-2-13(9-16)19-22-17(26-23-19)10-25-20(24)18-14-5-11-4-12(7-14)8-15(18)6-11/h1-3,9,11-12,14-15,18H,4-8,10H2