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

Systemtic Name: 1-[(3,5-dimethoxy-4-phenylmethoxy-phenyl)-pyridin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-benzyloxy-3,5-dimethoxy-phenyl)-(3-pyridyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethoxy-4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[(4-benzoxy-3,5-dimethoxy-phenyl)-(3-pyridyl)methyl]pipecolinic acid Formula: C27H30N2O5 MolecularWeight: 462.5375

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CN=CC=C3)N4CCCCC4C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CN=CC=C3)N4CCCCC4C(=O)O

InChI

InChI=1S/C27H30N2O5/c1-32-23-15-21(16-24(33-2)26(23)34-18-19-9-4-3-5-10-19)25(20-11-8-13-28-17-20)29-14-7-6-12-22(29)27(30)31/h3-5,8-11,13,15-17,22,25H,6-7,12,14,18H2,1-2H3,(H,30,31)