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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]pipecolinic 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)N4CCCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCCC4C(=O)O

InChI

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