4-[1-[(2,5-dimethylphenyl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid

Systemtic Name: 4-[1-[(2,5-dimethylphenyl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(2,5-dimethylphenyl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(2,5-dimethylphenyl)methyl]-5-methoxy-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(2,5-dimethylphenyl)methyl]-5-methoxybenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-(2,5-dimethylbenzyl)-5-methoxy-benzimidazol-2-yl]thio]butyric acid Formula: C21H24N2O3S MolecularWeight: 384.49186

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)OC)N=C2SCCCC(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C)CN2C3=C(C=C(C=C3)OC)N=C2SCCCC(=O)O

InChI

InChI=1S/C21H24N2O3S/c1-14-6-7-15(2)16(11-14)13-23-19-9-8-17(26-3)12-18(19)22-21(23)27-10-4-5-20(24)25/h6-9,11-12H,4-5,10,13H2,1-3H3,(H,24,25)