2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid

Systemtic Name: 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Openeye Name: 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-[2-(1-piperidyl)ethoxy]phenyl]propanoic acid CAS Name: 2-[(4-butoxyphenyl)thio]-2-methyl-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]propanoic acid IUPAC Name: 2-(4-butoxyphenyl)sulfanyl-2-methyl-3-[4-(2-piperidin-1-ylethoxy)phenyl]propanoic acid Traditional Name: 2-[(4-butoxyphenyl)thio]-2-methyl-3-[4-(2-piperidinoethoxy)phenyl]propionic acid Formula: C27H37NO4S MolecularWeight: 471.65198

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC(C)(CC2=CC=C(C=C2)OCCN3CCCCC3)C(=O)O

InChI

InChI=1S/C27H37NO4S/c1-3-4-19-31-24-12-14-25(15-13-24)33-27(2,26(29)30)21-22-8-10-23(11-9-22)32-20-18-28-16-6-5-7-17-28/h8-15H,3-7,16-21H2,1-2H3,(H,29,30)