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

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

Isomeric SMILES

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

InChI

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