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

Systemtic Name: 4-[5-ethoxy-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-ethoxy-1-(1-naphthylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-ethoxy-1-(1-naphthalenylmethyl)-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-ethoxy-1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[5-ethoxy-1-(1-naphthylmethyl)benzimidazol-2-yl]thio]butyric acid Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CCOC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C24H24N2O3S/c1-2-29-19-12-13-22-21(15-19)25-24(30-14-6-11-23(27)28)26(22)16-18-9-5-8-17-7-3-4-10-20(17)18/h3-5,7-10,12-13,15H,2,6,11,14,16H2,1H3,(H,27,28)