(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-ethanoyl-4-phenyl-piperidine-4-carboxylate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 1-acetyl-4-phenyl-piperidine-4-carboxylate CAS Name: 1-acetyl-4-phenyl-4-piperidinecarboxylic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 1-acetyl-4-phenylpiperidine-4-carboxylate Traditional Name: 1-acetyl-4-phenyl-isonipecotic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC(=O)N1CCC(CC1)(C2=CC=CC=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C21H21N3O4S/c1-15(25)24-10-8-21(9-11-24,17-5-3-2-4-6-17)20(26)27-13-18-22-19(23-28-18)16-7-12-29-14-16/h2-7,12,14H,8-11,13H2,1H3