1-[1-(5-ethylpyridin-2-yl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(5-ethylpyridin-2-yl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-ethyl-2-pyridyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-ethyl-2-pyridinyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-ethylpyridin-2-yl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-ethyl-2-pyridyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C20H25N3O2 MolecularWeight: 339.4314

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CN=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

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