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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-phenyl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-phenyl-methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-phenylmethyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-phenylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-phenyl-methyl]isonipecotic acid Formula: C20H23NO2S MolecularWeight: 341.46712

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C20H23NO2S/c1-24-18-9-7-16(8-10-18)19(15-5-3-2-4-6-15)21-13-11-17(12-14-21)20(22)23/h2-10,17,19H,11-14H2,1H3,(H,22,23)