4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoic acid

Systemtic Name: 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxidanylidene-benzimidazol-1-yl]methyl]benzoic acid Openeye Name: 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxo-benzimidazol-1-yl]methyl]benzoic acid CAS Name: 4-[[3-[[1-(2-dimethylaminoethyl)-2-benzimidazolyl]methyl]-2-oxo-1-benzimidazolyl]methyl]benzoic acid IUPAC Name: 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-oxobenzimidazol-1-yl]methyl]benzoic acid Traditional Name: 4-[[3-[[1-(2-dimethylaminoethyl)benzimidazol-2-yl]methyl]-2-keto-benzimidazol-1-yl]methyl]benzoic acid Formula: C27H27N5O3 MolecularWeight: 469.53498

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C(=O)O

Isomeric SMILES

CN(C)CCN1C2=CC=CC=C2N=C1CN3C4=CC=CC=C4N(C3=O)CC5=CC=C(C=C5)C(=O)O

InChI

InChI=1S/C27H27N5O3/c1-29(2)15-16-30-22-8-4-3-7-21(22)28-25(30)18-32-24-10-6-5-9-23(24)31(27(32)35)17-19-11-13-20(14-12-19)26(33)34/h3-14H,15-18H2,1-2H3,(H,33,34)