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

Systemtic Name: 1-[(4-phenylmethoxyphenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-benzyloxyphenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-phenylmethoxyphenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-phenylmethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-benzoxyphenyl)-(3-pyridyl)methyl]isonipecotic acid Formula: C25H26N2O3 MolecularWeight: 402.48554

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)O)C(C2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CN=CC=C4

InChI

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