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

Systemtic Name: 2-[6-methyl-5-oxamoyl-2-phenyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoic acid Openeye Name: 2-(7-benzyl-6-methyl-5-oxamoyl-2-phenyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid CAS Name: 2-[[6-methyl-5-oxamoyl-2-phenyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetic acid IUPAC Name: 2-(7-benzyl-6-methyl-5-oxamoyl-2-phenylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Traditional Name: 2-(7-benzyl-6-methyl-5-oxamoyl-2-phenyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid Formula: C25H21N3O5 MolecularWeight: 443.45134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C1C(=O)C(=O)N)C(=CC(=N2)C3=CC=CC=C3)OCC(=O)O)CC4=CC=CC=C4

Isomeric SMILES

CC1=C(N2C(=C1C(=O)C(=O)N)C(=CC(=N2)C3=CC=CC=C3)OCC(=O)O)CC4=CC=CC=C4

InChI

InChI=1S/C25H21N3O5/c1-15-19(12-16-8-4-2-5-9-16)28-23(22(15)24(31)25(26)32)20(33-14-21(29)30)13-18(27-28)17-10-6-3-7-11-17/h2-11,13H,12,14H2,1H3,(H2,26,32)(H,29,30)