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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCC(C4)C(=O)O

InChI

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