4-[3-[2-(12-propan-2-ylsulfanyldodecanoylamino)ethyl]phenoxy]butanoic acid

Systemtic Name: 4-[3-[2-(12-propan-2-ylsulfanyldodecanoylamino)ethyl]phenoxy]butanoic acid Openeye Name: 4-[3-[2-(12-isopropylsulfanyldodecanoylamino)ethyl]phenoxy]butanoic acid CAS Name: 4-[3-[2-[[1-oxo-12-(propan-2-ylthio)dodecyl]amino]ethyl]phenoxy]butanoic acid IUPAC Name: 4-[3-[2-(12-propan-2-ylsulfanyldodecanoylamino)ethyl]phenoxy]butanoic acid Traditional Name: 4-[3-[2-[12-(isopropylthio)dodecanoylamino]ethyl]phenoxy]butyric acid Formula: C27H45NO4S MolecularWeight: 479.7155

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCC(=O)NCCC1=CC(=CC=C1)OCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCCCC(=O)NCCC1=CC(=CC=C1)OCCCC(=O)O

InChI

InChI=1S/C27H45NO4S/c1-23(2)33-21-11-9-7-5-3-4-6-8-10-16-26(29)28-19-18-24-14-12-15-25(22-24)32-20-13-17-27(30)31/h12,14-15,22-23H,3-11,13,16-21H2,1-2H3,(H,28,29)(H,30,31)