2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]imidazol-1-yl]ethanoic acid

Systemtic Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]imidazol-1-yl]ethanoic acid Openeye Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]imidazol-1-yl]acetic acid CAS Name: 2-[2-[1-[5-(2-cyanophenyl)-1-benzimidazolyl]hexyl]-1-imidazolyl]acetic acid IUPAC Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]imidazol-1-yl]acetic acid Traditional Name: 2-[2-[1-[5-(2-cyanophenyl)benzimidazol-1-yl]hexyl]imidazol-1-yl]acetic acid Formula: C25H25N5O2 MolecularWeight: 427.4983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C1=NC=CN1CC(=O)O)N2C=NC3=C2C=CC(=C3)C4=CC=CC=C4C#N

Isomeric SMILES

CCCCCC(C1=NC=CN1CC(=O)O)N2C=NC3=C2C=CC(=C3)C4=CC=CC=C4C#N

InChI

InChI=1S/C25H25N5O2/c1-2-3-4-9-23(25-27-12-13-29(25)16-24(31)32)30-17-28-21-14-18(10-11-22(21)30)20-8-6-5-7-19(20)15-26/h5-8,10-14,17,23H,2-4,9,16H2,1H3,(H,31,32)