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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CN=CC=C2)N3CCCC(C3)C(=O)O

InChI

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