2-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-propylsulfanyl-propanoic acid

Systemtic Name: 2-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-propylsulfanyl-propanoic acid Openeye Name: 2-[7-[(4-chlorophenyl)methoxy]-3-quinolyl]-2-propylsulfanyl-propanoic acid CAS Name: 2-[7-[(4-chlorophenyl)methoxy]-3-quinolinyl]-2-(propylthio)propanoic acid IUPAC Name: 2-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-propylsulfanylpropanoic acid Traditional Name: 2-[7-(4-chlorobenzyl)oxy-3-quinolyl]-2-(propylthio)propionic acid Formula: C22H22ClNO3S MolecularWeight: 415.93298

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC(C)(C1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CCCSC(C)(C1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C22H22ClNO3S/c1-3-10-28-22(2,21(25)26)17-11-16-6-9-19(12-20(16)24-13-17)27-14-15-4-7-18(23)8-5-15/h4-9,11-13H,3,10,14H2,1-2H3,(H,25,26)