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

Systemtic Name: 1-[(4-dimethylaminophenyl)-pyridin-4-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(4-pyridyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-pyridin-4-ylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-pyridin-4-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(4-pyridyl)methyl]nipecotic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C2=CC=NC=C2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CC=NC=C2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H25N3O2/c1-22(2)18-7-5-15(6-8-18)19(16-9-11-21-12-10-16)23-13-3-4-17(14-23)20(24)25/h5-12,17,19H,3-4,13-14H2,1-2H3,(H,24,25)