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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-yl-methyl]piperidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-quinolyl)methyl]piperidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-quinolinyl)methyl]-2-piperidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-quinolyl)methyl]pipecolinic acid Formula: C23H24N2O2S MolecularWeight: 392.51386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCCC4C(=O)O

InChI

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