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

Systemtic Name: 1-[pyridin-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-pyridyl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[2-pyridinyl-(2,4,5-trimethoxyphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[pyridin-2-yl-(2,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[asaryl(2-pyridyl)methyl]nipecotic acid Formula: C21H26N2O5 MolecularWeight: 386.44154

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC)OC

InChI

InChI=1S/C21H26N2O5/c1-26-17-12-19(28-3)18(27-2)11-15(17)20(16-8-4-5-9-22-16)23-10-6-7-14(13-23)21(24)25/h4-5,8-9,11-12,14,20H,6-7,10,13H2,1-3H3,(H,24,25)