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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-naphthalen-1-yl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(1-naphthyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(1-naphthalenyl)methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(1-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=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC3=CC=CC=C32)N4CCCC(C4)C(=O)O

InChI

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