4-[4-[2-(11-methylsulfanylundecanoylamino)phenyl]phenoxy]butanoic acid

Systemtic Name: 4-[4-[2-(11-methylsulfanylundecanoylamino)phenyl]phenoxy]butanoic acid Openeye Name: 4-[4-[2-(11-methylsulfanylundecanoylamino)phenyl]phenoxy]butanoic acid CAS Name: 4-[4-[2-[[11-(methylthio)-1-oxoundecyl]amino]phenyl]phenoxy]butanoic acid IUPAC Name: 4-[4-[2-(11-methylsulfanylundecanoylamino)phenyl]phenoxy]butanoic acid Traditional Name: 4-[4-[2-[11-(methylthio)undecanoylamino]phenyl]phenoxy]butyric acid Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CSCCCCCCCCCCC(=O)NC1=CC=CC=C1C2=CC=C(C=C2)OCCCC(=O)O

Isomeric SMILES

CSCCCCCCCCCCC(=O)NC1=CC=CC=C1C2=CC=C(C=C2)OCCCC(=O)O

InChI

InChI=1S/C28H39NO4S/c1-34-22-11-7-5-3-2-4-6-8-15-27(30)29-26-14-10-9-13-25(26)23-17-19-24(20-18-23)33-21-12-16-28(31)32/h9-10,13-14,17-20H,2-8,11-12,15-16,21-22H2,1H3,(H,29,30)(H,31,32)