5-(2-carboxyethylsulfanyl)-5-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-methyl-pentanoic acid

Systemtic Name: 5-(2-carboxyethylsulfanyl)-5-[3-[(7-chloranylquinolin-2-yl)methoxy]phenyl]-3-methyl-pentanoic acid Openeye Name: 5-(2-carboxyethylsulfanyl)-5-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-methyl-pentanoic acid CAS Name: 5-(2-carboxyethylthio)-5-[3-[(7-chloro-2-quinolinyl)methoxy]phenyl]-3-methylpentanoic acid IUPAC Name: 5-(2-carboxyethylsulfanyl)-5-[3-[(7-chloroquinolin-2-yl)methoxy]phenyl]-3-methylpentanoic acid Traditional Name: 5-(2-carboxyethylthio)-5-[3-[(7-chloro-2-quinolyl)methoxy]phenyl]-3-methyl-valeric acid Formula: C25H26ClNO5S MolecularWeight: 487.99564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H26ClNO5S/c1-16(12-25(30)31)11-23(33-10-9-24(28)29)18-3-2-4-21(13-18)32-15-20-8-6-17-5-7-19(26)14-22(17)27-20/h2-8,13-14,16,23H,9-12,15H2,1H3,(H,28,29)(H,30,31)