2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanoic acid

Systemtic Name: 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]ethanoic acid Openeye Name: 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]acetic acid CAS Name: 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]acetic acid IUPAC Name: 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]acetic acid Traditional Name: 2-[1H-benzimidazol-2-ylmethyl-[2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethyl]amino]acetic acid Formula: C28H28N8O2 MolecularWeight: 508.57432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CN(CCN(CC3=NC4=CC=CC=C4N3)CC(=O)O)CC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CN(CCN(CC3=NC4=CC=CC=C4N3)CC(=O)O)CC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C28H28N8O2/c37-28(38)18-36(17-27-33-23-11-5-6-12-24(23)34-27)14-13-35(15-25-29-19-7-1-2-8-20(19)30-25)16-26-31-21-9-3-4-10-22(21)32-26/h1-12H,13-18H2,(H,29,30)(H,31,32)(H,33,34)(H,37,38)