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

Systemtic Name: 1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(p-tolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(4-methylphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(p-tolyl)methyl]pipecolinic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H25NO2S/c1-15-6-8-16(9-7-15)20(17-10-12-18(25-2)13-11-17)22-14-4-3-5-19(22)21(23)24/h6-13,19-20H,3-5,14H2,1-2H3,(H,23,24)