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

Systemtic Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(o-tolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methylphenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(o-tolyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

InChI

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