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

Systemtic Name: 1-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxylic acid Openeye Name: 1-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxylic acid CAS Name: 1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(4-ethoxy-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxylic acid Traditional Name: 1-[3-(4-ethoxy-3-methoxy-phenyl)-1,2,4-oxadiazol-5-yl]isonipecotic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NOC(=N2)N3CCC(CC3)C(=O)O)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NOC(=N2)N3CCC(CC3)C(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-3-24-13-5-4-12(10-14(13)23-2)15-18-17(25-19-15)20-8-6-11(7-9-20)16(21)22/h4-5,10-11H,3,6-9H2,1-2H3,(H,21,22)