1-[(3-phenylmethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(3-phenylmethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-benzyloxyphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-phenylmethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-benzoxyphenyl)-(3-pyridyl)methyl]nipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

C1CC(CN(C1)C(C2=CC(=CC=C2)OCC3=CC=CC=C3)C4=CN=CC=C4)C(=O)O

InChI

InChI=1S/C25H26N2O3/c28-25(29)22-11-6-14-27(17-22)24(21-10-5-13-26-16-21)20-9-4-12-23(15-20)30-18-19-7-2-1-3-8-19/h1-5,7-10,12-13,15-16,22,24H,6,11,14,17-18H2,(H,28,29)