1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]isonipecotic acid Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO3S/c1-25-18-5-3-4-17(14-18)20(15-6-8-19(26-2)9-7-15)22-12-10-16(11-13-22)21(23)24/h3-9,14,16,20H,10-13H2,1-2H3,(H,23,24)