2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxylic acid

Systemtic Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxylic acid Openeye Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxylic acid CAS Name: 2,6-bis(3-carbamimidoylphenoxy)-4-pyridinecarboxylic acid IUPAC Name: 2,6-bis(3-carbamimidoylphenoxy)pyridine-4-carboxylic acid Traditional Name: 2,6-bis(3-amidinophenoxy)isonicotinic acid Formula: C20H17N5O4 MolecularWeight: 391.38008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)OC2=CC(=CC(=N2)OC3=CC=CC(=C3)C(=N)N)C(=O)O)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)OC2=CC(=CC(=N2)OC3=CC=CC(=C3)C(=N)N)C(=O)O)C(=N)N

InChI

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