sodium 2-[6-ethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoate

Systemtic Name: sodium 2-[6-ethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoate Openeye Name: sodium 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetate CAS Name: sodium 2-[[6-ethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetate IUPAC Name: sodium 2-(7-benzyl-6-ethyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetate Traditional Name: sodium 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetate Formula: C20H18N3NaO5 MolecularWeight: 403.36379

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(N2C(=C1C(=O)C(=O)N)C(=CC=N2)OCC(=O)[O-])CC3=CC=CC=C3.[Na+]

Isomeric SMILES

CCC1=C(N2C(=C1C(=O)C(=O)N)C(=CC=N2)OCC(=O)[O-])CC3=CC=CC=C3.[Na+]

InChI

InChI=1S/C20H19N3O5.Na/c1-2-13-14(10-12-6-4-3-5-7-12)23-18(17(13)19(26)20(21)27)15(8-9-22-23)28-11-16(24)25;/h3-9H,2,10-11H2,1H3,(H2,21,27)(H,24,25);/q;+1/p-1