1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylic acid Openeye Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylic acid CAS Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]nipecotic acid Formula: C17H21N3O5 MolecularWeight: 347.36574

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NOC(=N2)CN3CCCC(C3)C(=O)O)OC

InChI

InChI=1S/C17H21N3O5/c1-23-13-6-5-11(8-14(13)24-2)16-18-15(25-19-16)10-20-7-3-4-12(9-20)17(21)22/h5-6,8,12H,3-4,7,9-10H2,1-2H3,(H,21,22)