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

Systemtic Name: 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(5-ethyl-2-thienyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-(5-ethyl-2-thiophenyl)-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(5-ethylthiophen-2-yl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-(5-ethyl-2-thienyl)-2-(2-pyridyl)ethyl]nipecotic acid Formula: C19H24N2O2S MolecularWeight: 344.47106

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

Isomeric SMILES

CCC1=CC=C(S1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C19H24N2O2S/c1-2-16-8-9-18(24-16)17(12-15-7-3-4-10-20-15)21-11-5-6-14(13-21)19(22)23/h3-4,7-10,14,17H,2,5-6,11-13H2,1H3,(H,22,23)