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

Systemtic Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[(2-methoxyphenyl)-[4-(methylthio)phenyl]methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(2-methoxyphenyl)-(4-methylsulfanylphenyl)methyl]piperidine-2-carboxylic acid Traditional Name: 1-[(2-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=C1C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

Isomeric SMILES

COC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCCC3C(=O)O

InChI

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