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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3,4,5-trimethoxyphenyl)methyl]isonipecotic 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)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

InChI

InChI=1S/C23H29NO5S/c1-27-19-13-17(14-20(28-2)22(19)29-3)21(15-5-7-18(30-4)8-6-15)24-11-9-16(10-12-24)23(25)26/h5-8,13-14,16,21H,9-12H2,1-4H3,(H,25,26)