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

Systemtic Name: 2-[6-ethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid CAS Name: 2-[[6-ethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-6-ethyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Formula: C20H19N3O5 MolecularWeight: 381.38196

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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

Isomeric SMILES

CCC1=C(N2C(=C1C(=O)C(=O)N)C(=CC=N2)OCC(=O)O)CC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O5/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)