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

Systemtic Name: 2-[2,6-diethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-2,6-diethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid CAS Name: 2-[[2,6-diethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-2,6-diethyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-2,6-diethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=C(C(=C2C(=C1)OCC(=O)O)C(=O)C(=O)N)CC)CC3=CC=CC=C3

Isomeric SMILES

CCC1=NN2C(=C(C(=C2C(=C1)OCC(=O)O)C(=O)C(=O)N)CC)CC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O5/c1-3-14-11-17(30-12-18(26)27)20-19(21(28)22(23)29)15(4-2)16(25(20)24-14)10-13-8-6-5-7-9-13/h5-9,11H,3-4,10,12H2,1-2H3,(H2,23,29)(H,26,27)