3-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid

Systemtic Name: 3-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Openeye Name: 3-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid CAS Name: 3-[2-[2-(4-butoxyphenoxy)ethylthio]-1-benzimidazolyl]propanoic acid IUPAC Name: 3-[2-[2-(4-butoxyphenoxy)ethylsulfanyl]benzimidazol-1-yl]propanoic acid Traditional Name: 3-[2-[2-(4-butoxyphenoxy)ethylthio]benzimidazol-1-yl]propionic acid Formula: C22H26N2O4S MolecularWeight: 414.51784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O

Isomeric SMILES

CCCCOC1=CC=C(C=C1)OCCSC2=NC3=CC=CC=C3N2CCC(=O)O

InChI

InChI=1S/C22H26N2O4S/c1-2-3-14-27-17-8-10-18(11-9-17)28-15-16-29-22-23-19-6-4-5-7-20(19)24(22)13-12-21(25)26/h4-11H,2-3,12-16H2,1H3,(H,25,26)