1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,5-dimethylphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,5-dimethylphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,5-dimethylphenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C22H27NO2S MolecularWeight: 369.52028

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O)C

Isomeric SMILES

CC1=CC(=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O)C

InChI

InChI=1S/C22H27NO2S/c1-15-12-16(2)14-18(13-15)21(17-7-9-19(26-3)10-8-17)23-11-5-4-6-20(23)22(24)25/h7-10,12-14,20-21H,4-6,11H2,1-3H3,(H,24,25)