6-[3-phenyl-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid

Systemtic Name: 6-[3-phenyl-2-(phenylmethyl)-7-sulfanyl-benzimidazol-5-yl]oxyhexanoic acid Openeye Name: 6-(2-benzyl-3-phenyl-7-sulfanyl-benzimidazol-5-yl)oxyhexanoic acid CAS Name: 6-[[7-mercapto-3-phenyl-2-(phenylmethyl)-5-benzimidazolyl]oxy]hexanoic acid IUPAC Name: 6-(2-benzyl-3-phenyl-7-sulfanylbenzimidazol-5-yl)oxyhexanoic acid Traditional Name: 6-(2-benzyl-7-mercapto-3-phenyl-benzimidazol-5-yl)oxyhexanoic acid Formula: C26H26N2O3S MolecularWeight: 446.56124

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3N2C4=CC=CC=C4)OCCCCCC(=O)O)S

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC3=C(C=C(C=C3N2C4=CC=CC=C4)OCCCCCC(=O)O)S

InChI

InChI=1S/C26H26N2O3S/c29-25(30)14-8-3-9-15-31-21-17-22-26(23(32)18-21)27-24(16-19-10-4-1-5-11-19)28(22)20-12-6-2-7-13-20/h1-2,4-7,10-13,17-18,32H,3,8-9,14-16H2,(H,29,30)