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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-phenyl-methyl]piperidine-3-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-phenylmethyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-phenylmethyl]piperidine-3-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-phenyl-methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CC=C2)N3CCCC(C3)C(=O)O

InChI

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