6-(3-phenyl-2-propyl-7-sulfanyl-benzimidazol-5-yl)oxyhexanoic acid

Systemtic Name: 6-(3-phenyl-2-propyl-7-sulfanyl-benzimidazol-5-yl)oxyhexanoic acid Openeye Name: 6-(3-phenyl-2-propyl-7-sulfanyl-benzimidazol-5-yl)oxyhexanoic acid CAS Name: 6-[(7-mercapto-3-phenyl-2-propyl-5-benzimidazolyl)oxy]hexanoic acid IUPAC Name: 6-(3-phenyl-2-propyl-7-sulfanylbenzimidazol-5-yl)oxyhexanoic acid Traditional Name: 6-(7-mercapto-3-phenyl-2-propyl-benzimidazol-5-yl)oxyhexanoic acid Formula: C22H26N2O3S MolecularWeight: 398.51844

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(C=C(C=C2N1C3=CC=CC=C3)OCCCCCC(=O)O)S

Isomeric SMILES

CCCC1=NC2=C(C=C(C=C2N1C3=CC=CC=C3)OCCCCCC(=O)O)S

InChI

InChI=1S/C22H26N2O3S/c1-2-9-20-23-22-18(24(20)16-10-5-3-6-11-16)14-17(15-19(22)28)27-13-8-4-7-12-21(25)26/h3,5-6,10-11,14-15,28H,2,4,7-9,12-13H2,1H3,(H,25,26)