1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]piperidine-4-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)-2-(2-pyridyl)ethyl]piperidine-4-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridinyl)ethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-ylethyl]piperidine-4-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridyl)ethyl]isonipecotic acid Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H24N2O2S/c1-25-18-7-5-15(6-8-18)19(14-17-4-2-3-11-21-17)22-12-9-16(10-13-22)20(23)24/h2-8,11,16,19H,9-10,12-14H2,1H3,(H,23,24)