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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-naphthalen-2-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-naphthyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(2-naphthalenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-naphthyl)methyl]isonipecotic acid Formula: C24H25NO2S MolecularWeight: 391.5258

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C24H25NO2S/c1-28-22-10-8-18(9-11-22)23(25-14-12-19(13-15-25)24(26)27)21-7-6-17-4-2-3-5-20(17)16-21/h2-11,16,19,23H,12-15H2,1H3,(H,26,27)