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

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-(2,4,5-trimethoxyphenyl)ethyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-2-carboxylic acid Traditional Name: 1-[1-asaryl-2-(2-pyridyl)ethyl]pipecolinic 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)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCCCC3C(=O)O)OC)OC

InChI

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