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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1OC)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

InChI=1S/C22H27NO4S/c1-26-19-9-6-7-17(21(19)27-2)20(15-10-12-16(28-3)13-11-15)23-14-5-4-8-18(23)22(24)25/h6-7,9-13,18,20H,4-5,8,14H2,1-3H3,(H,24,25)