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

Systemtic Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid Openeye Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]sulfanylbutanoic acid CAS Name: 4-[[1-[(1,4-dimethyl-3-indolyl)methyl]-5-methoxy-2-benzimidazolyl]thio]butanoic acid IUPAC Name: 4-[1-[(1,4-dimethylindol-3-yl)methyl]-5-methoxybenzimidazol-2-yl]sulfanylbutanoic acid Traditional Name: 4-[[1-[(1,4-dimethylindol-3-yl)methyl]-5-methoxy-benzimidazol-2-yl]thio]butyric acid Formula: C23H25N3O3S MolecularWeight: 423.5279

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC=C1)N(C=C2CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O)C

Isomeric SMILES

CC1=C2C(=CC=C1)N(C=C2CN3C4=C(C=C(C=C4)OC)N=C3SCCCC(=O)O)C

InChI

InChI=1S/C23H25N3O3S/c1-15-6-4-7-20-22(15)16(13-25(20)2)14-26-19-10-9-17(29-3)12-18(19)24-23(26)30-11-5-8-21(27)28/h4,6-7,9-10,12-13H,5,8,11,14H2,1-3H3,(H,27,28)