tert-butyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1,3-benzodioxol-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-(3-piperonyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxylic acid tert-butyl ester Formula: C20H25N3O5 MolecularWeight: 387.4296

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NO2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NO2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H25N3O5/c1-20(2,3)27-19(24)23-8-6-14(7-9-23)18-21-17(22-28-18)11-13-4-5-15-16(10-13)26-12-25-15/h4-5,10,14H,6-9,11-12H2,1-3H3