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

Systemtic Name: 1-[1-(3-methoxy-4-phenylmethoxy-phenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-benzyloxy-3-methoxy-phenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(3-methoxy-4-phenylmethoxyphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(4-benzoxy-3-methoxy-phenyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C27H30N2O4 MolecularWeight: 446.5381

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O)OCC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O4/c1-32-26-16-21(12-13-25(26)33-19-20-8-3-2-4-9-20)24(17-23-11-5-6-14-28-23)29-15-7-10-22(18-29)27(30)31/h2-6,8-9,11-14,16,22,24H,7,10,15,17-19H2,1H3,(H,30,31)