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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O)OC)OC

InChI

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