4-[3,5-dimethoxy-4-[[2-(triphenylmethyl)sulfanylethylamino]methyl]phenoxy]butanoic acid

Systemtic Name: 4-[3,5-dimethoxy-4-[[2-(triphenylmethyl)sulfanylethylamino]methyl]phenoxy]butanoic acid Openeye Name: 4-[3,5-dimethoxy-4-[(2-tritylsulfanylethylamino)methyl]phenoxy]butanoic acid CAS Name: 4-[3,5-dimethoxy-4-[[2-[(triphenylmethyl)thio]ethylamino]methyl]phenoxy]butanoic acid IUPAC Name: 4-[3,5-dimethoxy-4-[(2-tritylsulfanylethylamino)methyl]phenoxy]butanoic acid Traditional Name: 4-[3,5-dimethoxy-4-[[2-(tritylthio)ethylamino]methyl]phenoxy]butyric acid Formula: C34H37NO5S MolecularWeight: 571.72628

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1CNCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)OCCCC(=O)O

Isomeric SMILES

COC1=CC(=CC(=C1CNCCSC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)OC)OCCCC(=O)O

InChI

InChI=1S/C34H37NO5S/c1-38-31-23-29(40-21-12-19-33(36)37)24-32(39-2)30(31)25-35-20-22-41-34(26-13-6-3-7-14-26,27-15-8-4-9-16-27)28-17-10-5-11-18-28/h3-11,13-18,23-24,35H,12,19-22,25H2,1-2H3,(H,36,37)