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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC

Isomeric SMILES

COC1=CC(=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC

InChI

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