3-cyano-4-[[3-(hydroxymethyl)-4-phenoxy-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid

Systemtic Name: 3-cyano-4-[[3-(hydroxymethyl)-4-phenoxy-phenyl]amino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-4-[3-(hydroxymethyl)-4-phenoxy-anilino]-5-methyl-pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-4-[3-(hydroxymethyl)-4-phenoxyanilino]-5-methyl-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-4-[3-(hydroxymethyl)-4-phenoxyanilino]-5-methylpyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-(3-methylol-4-phenoxy-anilino)pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C23H18N4O4 MolecularWeight: 414.41342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC(=C(C=C3)OC4=CC=CC=C4)CO

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC(=C(C=C3)OC4=CC=CC=C4)CO

InChI

InChI=1S/C23H18N4O4/c1-14-19(23(29)30)12-27-22(14)21(16(10-24)11-25-27)26-17-7-8-20(15(9-17)13-28)31-18-5-3-2-4-6-18/h2-9,11-12,26,28H,13H2,1H3,(H,29,30)