1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-yl-ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)-2-(2-pyridyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridinyl)ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)-2-pyridin-2-ylethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]-2-(2-pyridyl)ethyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(CC2=CC=CC=N2)N3CCCC(C3)C(=O)O

InChI

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