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

Systemtic Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3,4-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3,4-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3,4-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O)OC

InChI

InChI=1S/C22H27NO4S/c1-26-19-12-9-16(14-20(19)27-2)21(15-7-10-17(28-3)11-8-15)23-13-5-4-6-18(23)22(24)25/h7-12,14,18,21H,4-6,13H2,1-3H3,(H,24,25)