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

Systemtic Name: methyl 2-[6-ethyl-5-oxamoyl-7-(phenylmethyl)pyrrolo[1,2-b]pyridazin-4-yl]oxyethanoate Openeye Name: methyl 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetate CAS Name: 2-[[6-ethyl-5-oxamoyl-7-(phenylmethyl)-4-pyrrolo[1,2-b]pyridazinyl]oxy]acetic acid methyl ester IUPAC Name: methyl 2-(7-benzyl-6-ethyl-5-oxamoylpyrrolo[1,2-b]pyridazin-4-yl)oxyacetate Traditional Name: 2-(7-benzyl-6-ethyl-5-oxamoyl-pyrrolo[1,2-b]pyridazin-4-yl)oxyacetic acid methyl ester Formula: C21H21N3O5 MolecularWeight: 395.40854

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O5/c1-3-14-15(11-13-7-5-4-6-8-13)24-19(18(14)20(26)21(22)27)16(9-10-23-24)29-12-17(25)28-2/h4-10H,3,11-12H2,1-2H3,(H2,22,27)