[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloranyladamantane-1-carboxylate

Systemtic Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloranyladamantane-1-carboxylate Openeye Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloroadamantane-1-carboxylate CAS Name: 3-chloro-1-adamantanecarboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-chloroadamantane-1-carboxylate Traditional Name: 3-chloroadamantane-1-carboxylic acid [3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H23ClN2O4 MolecularWeight: 402.87132

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

Isomeric SMILES

COC1=CC=C(C=C1)C2=NOC(=N2)COC(=O)C34CC5CC(C3)CC(C5)(C4)Cl

InChI

InChI=1S/C21H23ClN2O4/c1-26-16-4-2-15(3-5-16)18-23-17(28-24-18)11-27-19(25)20-7-13-6-14(8-20)10-21(22,9-13)12-20/h2-5,13-14H,6-12H2,1H3