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

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-(2,4,5-trimethoxyphenyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-asaryl-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C22H28N2O5 MolecularWeight: 400.46812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O)OC)OC

InChI

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