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

Systemtic Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3,5-dimethoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3,5-dimethoxy-phenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C28H32N2O5 MolecularWeight: 476.56408

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(CC3=CC=CC=N3)N4CCCC(C4)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OCC2=CC=CC=C2)OC)C(CC3=CC=CC=N3)N4CCCC(C4)C(=O)O

InChI

InChI=1S/C28H32N2O5/c1-33-25-15-22(16-26(34-2)27(25)35-19-20-9-4-3-5-10-20)24(17-23-12-6-7-13-29-23)30-14-8-11-21(18-30)28(31)32/h3-7,9-10,12-13,15-16,21,24H,8,11,14,17-19H2,1-2H3,(H,31,32)