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

Systemtic Name: 1-[(4-dimethylaminophenyl)-pyridin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-dimethylaminophenyl)-(3-pyridyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(4-dimethylaminophenyl)-(3-pyridinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-dimethylaminophenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[(4-dimethylaminophenyl)-(3-pyridyl)methyl]isonipecotic 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=CN=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C2=CN=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H25N3O2/c1-22(2)18-7-5-15(6-8-18)19(17-4-3-11-21-14-17)23-12-9-16(10-13-23)20(24)25/h3-8,11,14,16,19H,9-10,12-13H2,1-2H3,(H,24,25)