2-(4-carbamimidoyl-1-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridine-4-carboxylic acid

Systemtic Name: 2-(4-carbamimidoyl-1-oxidanyl-cyclohexa-2,5-dien-1-yl)oxy-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridine-4-carboxylic acid Openeye Name: 2-(4-carbamimidoyl-1-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridine-4-carboxylic acid CAS Name: 2-[(4-carbamimidoyl-1-hydroxy-1-cyclohexa-2,5-dienyl)oxy]-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]-4-pyridinecarboxylic acid IUPAC Name: 2-(4-carbamimidoyl-1-hydroxycyclohexa-2,5-dien-1-yl)oxy-6-[3-(1-methyl-4,5-dihydroimidazol-2-yl)phenoxy]pyridine-4-carboxylic acid Traditional Name: 2-(4-amidino-1-hydroxy-cyclohexa-2,5-dien-1-yl)oxy-6-[3-(1-methyl-2-imidazolin-2-yl)phenoxy]isonicotinic acid Formula: C23H23N5O5 MolecularWeight: 449.45922

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=CC(=C3)C(=O)O)OC4(C=CC(C=C4)C(=N)N)O

Isomeric SMILES

CN1CCN=C1C2=CC(=CC=C2)OC3=NC(=CC(=C3)C(=O)O)OC4(C=CC(C=C4)C(=N)N)O

InChI

InChI=1S/C23H23N5O5/c1-28-10-9-26-21(28)15-3-2-4-17(11-15)32-18-12-16(22(29)30)13-19(27-18)33-23(31)7-5-14(6-8-23)20(24)25/h2-8,11-14,31H,9-10H2,1H3,(H3,24,25)(H,29,30)