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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]pipecolinic acid Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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