6-(2-carboxyethylsulfanyl)-6-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-methyl-hexanoic acid

Systemtic Name: 6-(2-carboxyethylsulfanyl)-6-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-methyl-hexanoic acid Openeye Name: 6-(2-carboxyethylsulfanyl)-6-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-methyl-hexanoic acid CAS Name: 6-(2-carboxyethylthio)-6-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-methylhexanoic acid IUPAC Name: 6-(2-carboxyethylsulfanyl)-6-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-methylhexanoic acid Traditional Name: 6-(2-carboxyethylthio)-6-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-methyl-hexanoic acid Formula: C26H28ClNO5S MolecularWeight: 502.02222

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCC(C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O)CC(=O)O

Isomeric SMILES

CC(CCC(C1=CC(=CC=C1)OCC2=NC3=C(C=CC(=C3)Cl)C=C2)SCCC(=O)O)CC(=O)O

InChI

InChI=1S/C26H28ClNO5S/c1-17(13-26(31)32)5-10-24(34-12-11-25(29)30)19-3-2-4-22(14-19)33-16-21-9-7-18-6-8-20(27)15-23(18)28-21/h2-4,6-9,14-15,17,24H,5,10-13,16H2,1H3,(H,29,30)(H,31,32)