1-[(4-methylsulfanylphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(4-methylsulfanylphenyl)-naphthalen-2-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(2-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(2-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-naphthalen-2-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(2-naphthyl)methyl]nipecotic 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)N4CCCC(C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3C=C2)N4CCCC(C4)C(=O)O

InChI

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