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

Systemtic Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]ethanoic acid Openeye Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]acetic acid CAS Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]acetic acid IUPAC Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]acetic acid Traditional Name: 2-[bis(1H-benzimidazol-2-ylmethyl)amino]acetic acid Formula: C18H17N5O2 MolecularWeight: 335.35988

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)NC(=N2)CN(CC3=NC4=CC=CC=C4N3)CC(=O)O

InChI

InChI=1S/C18H17N5O2/c24-18(25)11-23(9-16-19-12-5-1-2-6-13(12)20-16)10-17-21-14-7-3-4-8-15(14)22-17/h1-8H,9-11H2,(H,19,20)(H,21,22)(H,24,25)