2-[3-[2-(tert-butylsulfanylmethyl)-4-piperidin-1-ylcarbonyl-phenoxy]-4-methoxy-phenyl]ethanoic acid

Systemtic Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-piperidin-1-ylcarbonyl-phenoxy]-4-methoxy-phenyl]ethanoic acid Openeye Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-(piperidine-1-carbonyl)phenoxy]-4-methoxy-phenyl]acetic acid CAS Name: 2-[3-[2-[(tert-butylthio)methyl]-4-[oxo(1-piperidinyl)methyl]phenoxy]-4-methoxyphenyl]acetic acid IUPAC Name: 2-[3-[2-(tert-butylsulfanylmethyl)-4-(piperidine-1-carbonyl)phenoxy]-4-methoxyphenyl]acetic acid Traditional Name: 2-[3-[2-[(tert-butylthio)methyl]-4-(piperidine-1-carbonyl)phenoxy]-4-methoxy-phenyl]acetic acid Formula: C26H33NO5S MolecularWeight: 471.60892

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCC1=C(C=CC(=C1)C(=O)N2CCCCC2)OC3=C(C=CC(=C3)CC(=O)O)OC

Isomeric SMILES

CC(C)(C)SCC1=C(C=CC(=C1)C(=O)N2CCCCC2)OC3=C(C=CC(=C3)CC(=O)O)OC

InChI

InChI=1S/C26H33NO5S/c1-26(2,3)33-17-20-16-19(25(30)27-12-6-5-7-13-27)9-11-21(20)32-23-14-18(15-24(28)29)8-10-22(23)31-4/h8-11,14,16H,5-7,12-13,15,17H2,1-4H3,(H,28,29)