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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

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