(3-phenyl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate

Systemtic Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloranyladamantane-1-carboxylate Openeye Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate CAS Name: (5S,7R)-3-chloro-1-adamantanecarboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-phenyl-1,2,4-oxadiazol-5-yl)methyl (5S,7R)-3-chloroadamantane-1-carboxylate Traditional Name: (5S,7R)-3-chloroadamantane-1-carboxylic acid (3-phenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C20H21ClN2O3 MolecularWeight: 372.84534

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)Cl)C(=O)OCC4=NC(=NO4)C5=CC=CC=C5

Isomeric SMILES

C1[C@@H]2CC3(C[C@H]1CC(C2)(C3)Cl)C(=O)OCC4=NC(=NO4)C5=CC=CC=C5

InChI

InChI=1S/C20H21ClN2O3/c21-20-9-13-6-14(10-20)8-19(7-13,12-20)18(24)25-11-16-22-17(23-26-16)15-4-2-1-3-5-15/h1-5,13-14H,6-12H2/t13-,14+,19?,20?