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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]pipecolinic acid Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO5S/c1-27-19-13-16(14-20(28-2)22(19)29-3)21(15-8-10-17(30-4)11-9-15)24-12-6-5-7-18(24)23(25)26/h8-11,13-14,18,21H,5-7,12H2,1-4H3,(H,25,26)