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

Systemtic Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2,5-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2,5-dimethoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2,5-dimethoxyphenyl)-[4-(methylthio)phenyl]methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C22H27NO4S/c1-26-17-6-9-20(27-2)19(14-17)21(15-4-7-18(28-3)8-5-15)23-12-10-16(11-13-23)22(24)25/h4-9,14,16,21H,10-13H2,1-3H3,(H,24,25)