1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid

Systemtic Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-4-carboxylic acid Traditional Name: 1-[(2-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=C1C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCC(CC3)C(=O)O

InChI

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