1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-2-carboxylic acid Openeye Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-2-carboxylic acid CAS Name: 1-[1-[4-(methylthio)phenyl]pentyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[1-(4-methylsulfanylphenyl)pentyl]piperidine-2-carboxylic acid Traditional Name: 1-[1-[4-(methylthio)phenyl]pentyl]pipecolinic acid Formula: C18H27NO2S MolecularWeight: 321.47748

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C1=CC=C(C=C1)SC)N2CCCCC2C(=O)O

Isomeric SMILES

CCCCC(C1=CC=C(C=C1)SC)N2CCCCC2C(=O)O

InChI

InChI=1S/C18H27NO2S/c1-3-4-7-16(14-9-11-15(22-2)12-10-14)19-13-6-5-8-17(19)18(20)21/h9-12,16-17H,3-8,13H2,1-2H3,(H,20,21)