2-[5-(3-cyano-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid

Systemtic Name: 2-[5-(3-cyano-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid Openeye Name: 2-[5-(3-cyano-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid CAS Name: 2-[5-(3-cyano-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-1-piperidinecarboxylic acid IUPAC Name: 2-[5-(3-cyano-5-methoxyphenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid Traditional Name: 2-[5-(3-cyano-5-methoxy-phenyl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylic acid Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)C2=NC(=NO2)C3CCCCN3C(=O)O)C#N

Isomeric SMILES

COC1=CC(=CC(=C1)C2=NC(=NO2)C3CCCCN3C(=O)O)C#N

InChI

InChI=1S/C16H16N4O4/c1-23-12-7-10(9-17)6-11(8-12)15-18-14(19-24-15)13-4-2-3-5-20(13)16(21)22/h6-8,13H,2-5H2,1H3,(H,21,22)