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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1C(C2=CN=CC=C2)N3CCCCC3C(=O)O)OC)OC

Isomeric SMILES

COC1=CC(=C(C=C1C(C2=CN=CC=C2)N3CCCCC3C(=O)O)OC)OC

InChI

InChI=1S/C21H26N2O5/c1-26-17-12-19(28-3)18(27-2)11-15(17)20(14-7-6-9-22-13-14)23-10-5-4-8-16(23)21(24)25/h6-7,9,11-13,16,20H,4-5,8,10H2,1-3H3,(H,24,25)