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

Systemtic Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[2-(2-pyridyl)-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[2-(2-pyridinyl)-1-(2,4,5-trimethoxyphenyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[2-pyridin-2-yl-1-(2,4,5-trimethoxyphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-asaryl-2-(2-pyridyl)ethyl]nipecotic 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)N3CCCC(C3)C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OC)OC

InChI

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