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

Systemtic Name: 3-cyano-5-methyl-4-[[3-(oxan-2-yloxymethyl)-4-phenoxy-phenyl]amino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Openeye Name: 3-cyano-5-methyl-4-[4-phenoxy-3-(tetrahydropyran-2-yloxymethyl)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid CAS Name: 3-cyano-5-methyl-4-[3-(2-oxanyloxymethyl)-4-phenoxyanilino]-6-pyrrolo[1,2-b]pyridazinecarboxylic acid IUPAC Name: 3-cyano-5-methyl-4-[3-(oxan-2-yloxymethyl)-4-phenoxyanilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Traditional Name: 3-cyano-5-methyl-4-[4-phenoxy-3-(tetrahydropyran-2-yloxymethyl)anilino]pyrrolo[1,2-b]pyridazine-6-carboxylic acid Formula: C28H26N4O5 MolecularWeight: 498.52984

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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)COC5CCCCO5

Isomeric SMILES

CC1=C2C(=C(C=NN2C=C1C(=O)O)C#N)NC3=CC(=C(C=C3)OC4=CC=CC=C4)COC5CCCCO5

InChI

InChI=1S/C28H26N4O5/c1-18-23(28(33)34)16-32-27(18)26(20(14-29)15-30-32)31-21-10-11-24(37-22-7-3-2-4-8-22)19(13-21)17-36-25-9-5-6-12-35-25/h2-4,7-8,10-11,13,15-16,25,31H,5-6,9,12,17H2,1H3,(H,33,34)