1-[(4-phenylmethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-pyridin-3-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-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=C(C=C2)OCC3=CC=CC=C3)C4=CN=CC=C4)C(=O)O

Isomeric SMILES

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

InChI

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