1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid

Systemtic Name: 1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Openeye Name: 1-[(5-methyl-2-pyridyl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid CAS Name: 1-[(5-methyl-2-pyridinyl)-[4-(methylthio)phenyl]methyl]-3-piperidinecarboxylic acid IUPAC Name: 1-[(5-methylpyridin-2-yl)-(4-methylsulfanylphenyl)methyl]piperidine-3-carboxylic acid Traditional Name: 1-[(5-methyl-2-pyridyl)-[4-(methylthio)phenyl]methyl]nipecotic acid Formula: C20H24N2O2S MolecularWeight: 356.48176

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

Isomeric SMILES

CC1=CN=C(C=C1)C(C2=CC=C(C=C2)SC)N3CCCC(C3)C(=O)O

InChI

InChI=1S/C20H24N2O2S/c1-14-5-10-18(21-12-14)19(15-6-8-17(25-2)9-7-15)22-11-3-4-16(13-22)20(23)24/h5-10,12,16,19H,3-4,11,13H2,1-2H3,(H,23,24)