4-[3-methyl-2-[10-(phenylmethylsulfanyl)decanoylamino]phenoxy]butanoic acid

Systemtic Name: 4-[3-methyl-2-[10-(phenylmethylsulfanyl)decanoylamino]phenoxy]butanoic acid Openeye Name: 4-[2-(10-benzylsulfanyldecanoylamino)-3-methyl-phenoxy]butanoic acid CAS Name: 4-[3-methyl-2-[[1-oxo-10-(phenylmethylthio)decyl]amino]phenoxy]butanoic acid IUPAC Name: 4-[2-(10-benzylsulfanyldecanoylamino)-3-methylphenoxy]butanoic acid Traditional Name: 4-[2-[10-(benzylthio)decanoylamino]-3-methyl-phenoxy]butyric acid Formula: C28H39NO4S MolecularWeight: 485.67856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCSCC2=CC=CC=C2

Isomeric SMILES

CC1=C(C(=CC=C1)OCCCC(=O)O)NC(=O)CCCCCCCCCSCC2=CC=CC=C2

InChI

InChI=1S/C28H39NO4S/c1-23-14-12-17-25(33-20-13-19-27(31)32)28(23)29-26(30)18-10-5-3-2-4-6-11-21-34-22-24-15-8-7-9-16-24/h7-9,12,14-17H,2-6,10-11,13,18-22H2,1H3,(H,29,30)(H,31,32)