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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=N3)N4CCC(CC4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(C3=CC=CC=N3)N4CCC(CC4)C(=O)O

InChI

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