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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=NC=CC(=C2)CN3CCC(CC3)C(=O)O

InChI

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