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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(C2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC)OC

InChI

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