4-[1-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-(1-naphthylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-(1-naphthalenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-(naphthalen-1-ylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(1-naphthylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]thio]butyric acid Formula: C23H19F3N2O2S MolecularWeight: 444.46937

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3SCCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2CN3C4=C(C=C(C=C4)C(F)(F)F)N=C3SCCCC(=O)O

InChI

InChI=1S/C23H19F3N2O2S/c24-23(25,26)17-10-11-20-19(13-17)27-22(31-12-4-9-21(29)30)28(20)14-16-7-3-6-15-5-1-2-8-18(15)16/h1-3,5-8,10-11,13H,4,9,12,14H2,(H,29,30)