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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-yl-methyl]piperidine-4-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-quinolyl)methyl]piperidine-4-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-quinolinyl)methyl]-4-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-ylmethyl]piperidine-4-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-quinolyl)methyl]isonipecotic acid Formula: C23H24N2O2S MolecularWeight: 392.51386

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCC(CC4)C(=O)O

InChI

InChI=1S/C23H24N2O2S/c1-28-20-8-6-16(7-9-20)22(25-12-10-17(11-13-25)23(26)27)19-14-18-4-2-3-5-21(18)24-15-19/h2-9,14-15,17,22H,10-13H2,1H3,(H,26,27)