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

Systemtic Name: 1-[(3-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(m-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methylphenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(m-tolyl)methyl]isonipecotic acid Formula: C21H25NO2S MolecularWeight: 355.4937

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC(=CC=C1)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

InChI

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