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

Systemtic Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-yl-methyl]pyrrolidine-2-carboxylic acid Openeye Name: 1-[(4-methylsulfanylphenyl)-(3-quinolyl)methyl]pyrrolidine-2-carboxylic acid CAS Name: 1-[[4-(methylthio)phenyl]-(3-quinolinyl)methyl]-2-pyrrolidinecarboxylic acid IUPAC Name: 1-[(4-methylsulfanylphenyl)-quinolin-3-ylmethyl]pyrrolidine-2-carboxylic acid Traditional Name: 1-[[4-(methylthio)phenyl]-(3-quinolyl)methyl]proline Formula: C22H22N2O2S MolecularWeight: 378.48728

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC3=CC=CC=C3N=C2)N4CCCC4C(=O)O

InChI

InChI=1S/C22H22N2O2S/c1-27-18-10-8-15(9-11-18)21(24-12-4-7-20(24)22(25)26)17-13-16-5-2-3-6-19(16)23-14-17/h2-3,5-6,8-11,13-14,20-21H,4,7,12H2,1H3,(H,25,26)