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

Systemtic Name: 2-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-phenylsulfanyl-propanoic acid Openeye Name: 2-[7-[(4-chlorophenyl)methoxy]-3-quinolyl]-2-phenylsulfanyl-propanoic acid CAS Name: 2-[7-[(4-chlorophenyl)methoxy]-3-quinolinyl]-2-(phenylthio)propanoic acid IUPAC Name: 2-[7-[(4-chlorophenyl)methoxy]quinolin-3-yl]-2-phenylsulfanylpropanoic acid Traditional Name: 2-[7-(4-chlorobenzyl)oxy-3-quinolyl]-2-(phenylthio)propionic acid Formula: C25H20ClNO3S MolecularWeight: 449.9492

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)(C(=O)O)SC4=CC=CC=C4

Isomeric SMILES

CC(C1=CN=C2C=C(C=CC2=C1)OCC3=CC=C(C=C3)Cl)(C(=O)O)SC4=CC=CC=C4

InChI

InChI=1S/C25H20ClNO3S/c1-25(24(28)29,31-22-5-3-2-4-6-22)19-13-18-9-12-21(14-23(18)27-15-19)30-16-17-7-10-20(26)11-8-17/h2-15H,16H2,1H3,(H,28,29)