4-[4-fluoranyl-2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[4-fluoranyl-2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid Openeye Name: 4-[4-fluoro-2-(9-isopropylsulfanylnonanoylamino)phenoxy]butanoic acid CAS Name: 4-[4-fluoro-2-[[1-oxo-9-(propan-2-ylthio)nonyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-fluoro-2-(9-propan-2-ylsulfanylnonanoylamino)phenoxy]butanoic acid Traditional Name: 4-[4-fluoro-2-[9-(isopropylthio)nonanoylamino]phenoxy]butyric acid Formula: C22H34FNO4S MolecularWeight: 427.573063

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCC(=O)NC1=C(C=CC(=C1)F)OCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCC(=O)NC1=C(C=CC(=C1)F)OCCCC(=O)O

InChI

InChI=1S/C22H34FNO4S/c1-17(2)29-15-8-6-4-3-5-7-10-21(25)24-19-16-18(23)12-13-20(19)28-14-9-11-22(26)27/h12-13,16-17H,3-11,14-15H2,1-2H3,(H,24,25)(H,26,27)