4-[4-methyl-2-(11-phenylsulfanylundecanoylamino)phenoxy]butanoic acid

Systemtic Name: 4-[4-methyl-2-(11-phenylsulfanylundecanoylamino)phenoxy]butanoic acid Openeye Name: 4-[4-methyl-2-(11-phenylsulfanylundecanoylamino)phenoxy]butanoic acid CAS Name: 4-[4-methyl-2-[[1-oxo-11-(phenylthio)undecyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[4-methyl-2-(11-phenylsulfanylundecanoylamino)phenoxy]butanoic acid Traditional Name: 4-[4-methyl-2-[11-(phenylthio)undecanoylamino]phenoxy]butyric acid Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCSC2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCCSC2=CC=CC=C2

InChI

InChI=1S/C28H39NO4S/c1-23-18-19-26(33-20-13-17-28(31)32)25(22-23)29-27(30)16-11-6-4-2-3-5-7-12-21-34-24-14-9-8-10-15-24/h8-10,14-15,18-19,22H,2-7,11-13,16-17,20-21H2,1H3,(H,29,30)(H,31,32)