ethyl 2-(2-carbamimidoylphenoxy)-6-(3-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridine-4-carboxylate

Systemtic Name: ethyl 2-(2-carbamimidoylphenoxy)-6-(3-carbamimidoylphenoxy)-3,5-bis(fluoranyl)pyridine-4-carboxylate Openeye Name: ethyl 2-(2-carbamimidoylphenoxy)-6-(3-carbamimidoylphenoxy)-3,5-difluoro-pyridine-4-carboxylate CAS Name: 2-(2-carbamimidoylphenoxy)-6-(3-carbamimidoylphenoxy)-3,5-difluoro-4-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-carbamimidoylphenoxy)-6-(3-carbamimidoylphenoxy)-3,5-difluoropyridine-4-carboxylate Traditional Name: 2-(2-amidinophenoxy)-6-(3-amidinophenoxy)-3,5-difluoro-isonicotinic acid ethyl ester Formula: C22H19F2N5O4 MolecularWeight: 455.414166

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NC(=C1F)OC2=CC=CC=C2C(=N)N)OC3=CC=CC(=C3)C(=N)N)F

Isomeric SMILES

CCOC(=O)C1=C(C(=NC(=C1F)OC2=CC=CC=C2C(=N)N)OC3=CC=CC(=C3)C(=N)N)F

InChI

InChI=1S/C22H19F2N5O4/c1-2-31-22(30)15-16(23)20(32-12-7-5-6-11(10-12)18(25)26)29-21(17(15)24)33-14-9-4-3-8-13(14)19(27)28/h3-10H,2H2,1H3,(H3,25,26)(H3,27,28)