8-[5-carboxyoxy-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]sulfanyloctanoic acid

Systemtic Name: 8-[5-carboxyoxy-1-[(6-chloranyl-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]sulfanyloctanoic acid Openeye Name: 8-[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]sulfanyloctanoic acid CAS Name: 8-[[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-4-imidazolyl]thio]octanoic acid IUPAC Name: 8-[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propylimidazol-4-yl]sulfanyloctanoic acid Traditional Name: 8-[[5-carboxyoxy-1-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2-propyl-imidazol-4-yl]thio]caprylic acid Formula: C23H29ClN2O7S MolecularWeight: 513.00356

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCCCCCC(=O)O

Isomeric SMILES

CCCC1=NC(=C(N1CC2=CC3=C(C=C2Cl)OCO3)OC(=O)O)SCCCCCCCC(=O)O

InChI

InChI=1S/C23H29ClN2O7S/c1-2-8-19-25-21(34-10-7-5-3-4-6-9-20(27)28)22(33-23(29)30)26(19)13-15-11-17-18(12-16(15)24)32-14-31-17/h11-12H,2-10,13-14H2,1H3,(H,27,28)(H,29,30)