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

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-(2,3,4-trimethoxyphenyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-(2,3,4-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[2-(2-pyridyl)-1-(2,3,4-trimethoxyphenyl)ethyl]isonipecotic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=C(C(=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC

InChI

InChI=1S/C22H28N2O5/c1-27-19-8-7-17(20(28-2)21(19)29-3)18(14-16-6-4-5-11-23-16)24-12-9-15(10-13-24)22(25)26/h4-8,11,15,18H,9-10,12-14H2,1-3H3,(H,25,26)