3-cyano-5-(2-methoxyethoxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-5-(2-methoxyethoxymethyl)-4-[(4-phenoxyphenyl)amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-(2-methoxyethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-(2-methoxyethoxymethyl)-4-(4-phenoxyanilino)-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-(2-methoxyethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-(2-methoxyethoxymethyl)-4-(4-phenoxyanilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C25H22N4O5 MolecularWeight: 458.46598

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Descriptors Computed from Structure

Canonical SMILES:

COCCOCC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

COCCOCC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C25H22N4O5/c1-32-11-12-33-16-22-21(25(30)31)15-29-24(22)23(17(13-26)14-27-29)28-18-7-9-20(10-8-18)34-19-5-3-2-4-6-19/h2-10,14-15,28H,11-12,16H2,1H3,(H,30,31)