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

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]ethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]ethyl]nipecotic acid Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)SC)N2CCCC(C2)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)SC)N2CCCC(C2)C(=O)O

InChI

InChI=1S/C15H21NO2S/c1-11(12-5-7-14(19-2)8-6-12)16-9-3-4-13(10-16)15(17)18/h5-8,11,13H,3-4,9-10H2,1-2H3,(H,17,18)