1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid

Systemtic Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(3-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(3-methoxyphenyl)-[4-(methylthio)phenyl]methyl]pipecolinic 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)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC(=C1)C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

InChI=1S/C21H25NO3S/c1-25-17-7-5-6-16(14-17)20(15-9-11-18(26-2)12-10-15)22-13-4-3-8-19(22)21(23)24/h5-7,9-12,14,19-20H,3-4,8,13H2,1-2H3,(H,23,24)