4-[2-(20-propan-2-ylsulfanylicosanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[2-(20-propan-2-ylsulfanylicosanoylamino)phenoxy]butanoic acid Openeye Name: 4-[2-(20-isopropylsulfanylicosanoylamino)phenoxy]butanoic acid CAS Name: 4-[2-[[1-oxo-20-(propan-2-ylthio)eicosyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(20-propan-2-ylsulfanylicosanoylamino)phenoxy]butanoic acid Traditional Name: 4-[2-[20-(isopropylthio)eicosanoylamino]phenoxy]butyric acid Formula: C33H57NO4S MolecularWeight: 563.87498

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

Isomeric SMILES

CC(C)SCCCCCCCCCCCCCCCCCCCC(=O)NC1=CC=CC=C1OCCCC(=O)O

InChI

InChI=1S/C33H57NO4S/c1-29(2)39-28-21-17-15-13-11-9-7-5-3-4-6-8-10-12-14-16-18-25-32(35)34-30-23-19-20-24-31(30)38-27-22-26-33(36)37/h19-20,23-24,29H,3-18,21-22,25-28H2,1-2H3,(H,34,35)(H,36,37)