1-[1-(2,3-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(2,3-dimethoxyphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(2,3-dimethoxyphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-(2,3-dimethoxyphenyl)-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(2,3-dimethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-(2,3-dimethoxyphenyl)-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C21H26N2O4 MolecularWeight: 370.44214

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C21H26N2O4/c1-26-19-8-5-7-17(20(19)27-2)18(14-16-6-3-4-11-22-16)23-12-9-15(10-13-23)21(24)25/h3-8,11,15,18H,9-10,12-14H2,1-2H3,(H,24,25)