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3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid

3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid

Systemtic Name:3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid
Openeye Name:3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid
CAS Name:3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid
IUPAC Name:3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid
Traditional Name:3-[4-[bis(1H-imidazol-5-ylmethyl)amino]phenoxy]benzoic acid
Formula: C21H19N5O3
MolecularWeight: 389.40726
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC=C(C=C2)N(CC3=CN=CN3)CC4=CN=CN4)C(=O)O


Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC=C(C=C2)N(CC3=CN=CN3)CC4=CN=CN4)C(=O)O


InChI

InChI=1S/C21H19N5O3/c27-21(28)15-2-1-3-20(8-15)29-19-6-4-18(5-7-19)26(11-16-9-22-13-24-16)12-17-10-23-14-25-17/h1-10,13-14H,11-12H2,(H,22,24)(H,23,25)(H,27,28)


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