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

Systemtic Name: tert-butyl 4-[3-(1-benzofuran-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(benzofuran-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate CAS Name: 4-[3-(5-benzofuranylmethyl)-1,2,4-oxadiazol-5-yl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(1-benzofuran-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylate Traditional Name: 4-[3-(benzofuran-5-ylmethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H25N3O4 MolecularWeight: 383.4409

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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)OC=C4

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=NC(=NO2)CC3=CC4=C(C=C3)OC=C4

InChI

InChI=1S/C21H25N3O4/c1-21(2,3)27-20(25)24-9-6-15(7-10-24)19-22-18(23-28-19)13-14-4-5-17-16(12-14)8-11-26-17/h4-5,8,11-12,15H,6-7,9-10,13H2,1-3H3