4-[5-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[5-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[5-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[5-methoxy-1-[(3-methoxyphenyl)methyl]-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[5-methoxy-1-[(3-methoxyphenyl)methyl]benzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[(1-m-anisyl-5-methoxy-benzimidazol-2-yl)thio]butyric acid Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC(=CC=C3)OC

Isomeric SMILES

COC1=CC2=C(C=C1)N(C(=N2)SCCCC(=O)O)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C20H22N2O4S/c1-25-15-6-3-5-14(11-15)13-22-18-9-8-16(26-2)12-17(18)21-20(22)27-10-4-7-19(23)24/h3,5-6,8-9,11-12H,4,7,10,13H2,1-2H3,(H,23,24)