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

Systemtic Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]nipecotic 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)N3CCCC(C3)C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

InChI

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