2-[1-[4-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-4-phenyl-butyl]sulfanylethanoic acid

Systemtic Name: 2-[1-[4-[(7-fluoranylquinolin-2-yl)methoxy]phenyl]-4-phenyl-butyl]sulfanylethanoic acid Openeye Name: 2-[1-[4-[(7-fluoro-2-quinolyl)methoxy]phenyl]-4-phenyl-butyl]sulfanylacetic acid CAS Name: 2-[[1-[4-[(7-fluoro-2-quinolinyl)methoxy]phenyl]-4-phenylbutyl]thio]acetic acid IUPAC Name: 2-[1-[4-[(7-fluoroquinolin-2-yl)methoxy]phenyl]-4-phenylbutyl]sulfanylacetic acid Traditional Name: 2-[[1-[4-[(7-fluoro-2-quinolyl)methoxy]phenyl]-4-phenyl-butyl]thio]acetic acid Formula: C28H26FNO3S MolecularWeight: 475.574343

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=C(C=CC(=C4)F)C=C3)SCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCCC(C2=CC=C(C=C2)OCC3=NC4=C(C=CC(=C4)F)C=C3)SCC(=O)O

InChI

InChI=1S/C28H26FNO3S/c29-23-13-9-21-10-14-24(30-26(21)17-23)18-33-25-15-11-22(12-16-25)27(34-19-28(31)32)8-4-7-20-5-2-1-3-6-20/h1-3,5-6,9-17,27H,4,7-8,18-19H2,(H,31,32)