[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-oxidanyladamantane-1-carboxylate

Systemtic Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-oxidanyladamantane-1-carboxylate Openeye Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate CAS Name: 3-hydroxy-1-adamantanecarboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester IUPAC Name: [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 3-hydroxyadamantane-1-carboxylate Traditional Name: 3-hydroxyadamantane-1-carboxylic acid [5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1C2CC3(CC1CC(C2)(C3)O)C(=O)OCC4=NN=C(O4)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C20H21ClN2O4/c21-15-3-1-14(2-4-15)17-23-22-16(27-17)10-26-18(24)19-6-12-5-13(7-19)9-20(25,8-12)11-19/h1-4,12-13,25H,5-11H2