4-[5-(1-imidazol-1-ylethyl)-1-methyl-benzimidazol-2-yl]benzoic acid

Systemtic Name: 4-[5-(1-imidazol-1-ylethyl)-1-methyl-benzimidazol-2-yl]benzoic acid Openeye Name: 4-[5-(1-imidazol-1-ylethyl)-1-methyl-benzimidazol-2-yl]benzoic acid CAS Name: 4-[5-[1-(1-imidazolyl)ethyl]-1-methyl-2-benzimidazolyl]benzoic acid IUPAC Name: 4-[5-(1-imidazol-1-ylethyl)-1-methylbenzimidazol-2-yl]benzoic acid Traditional Name: 4-[5-(1-imidazol-1-ylethyl)-1-methyl-benzimidazol-2-yl]benzoic acid Formula: C20H18N4O2 MolecularWeight: 346.38252

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=O)O)C)N4C=CN=C4

Isomeric SMILES

CC(C1=CC2=C(C=C1)N(C(=N2)C3=CC=C(C=C3)C(=O)O)C)N4C=CN=C4

InChI

InChI=1S/C20H18N4O2/c1-13(24-10-9-21-12-24)16-7-8-18-17(11-16)22-19(23(18)2)14-3-5-15(6-4-14)20(25)26/h3-13H,1-2H3,(H,25,26)