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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H25NO2S/c1-15-7-3-4-8-18(15)20(16-10-12-17(25-2)13-11-16)22-14-6-5-9-19(22)21(23)24/h3-4,7-8,10-13,19-20H,5-6,9,14H2,1-2H3,(H,23,24)