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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]isonipecotic acid Formula: C26H27NO2S MolecularWeight: 417.56308

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C26H27NO2S/c1-30-24-13-11-22(12-14-24)25(27-17-15-23(16-18-27)26(28)29)21-9-7-20(8-10-21)19-5-3-2-4-6-19/h2-14,23,25H,15-18H2,1H3,(H,28,29)