2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxylic acid

Systemtic Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxylic acid Openeye Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxylic acid CAS Name: 2,6-bis(3-carbamimidoylphenoxy)-3-pyridinecarboxylic acid IUPAC Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-3-carboxylic acid Traditional Name: 2,6-bis(3-amidinophenoxy)nicotinic acid Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)C(=O)O)OC3=CC=CC(=C3)C(=N)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=NC(=C(C=C2)C(=O)O)OC3=CC=CC(=C3)C(=N)N)C(=N)N

InChI

InChI=1S/C20H17N5O4/c21-17(22)11-3-1-5-13(9-11)28-16-8-7-15(20(26)27)19(25-16)29-14-6-2-4-12(10-14)18(23)24/h1-10H,(H3,21,22)(H3,23,24)(H,26,27)