4-[[2-methyl-3-oxidanylidene-5-(4-propan-2-ylphenoxy)pyridazin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[2-methyl-3-oxidanylidene-5-(4-propan-2-ylphenoxy)pyridazin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-(4-isopropylphenoxy)-2-methyl-3-oxo-pyridazin-4-yl]amino]benzoic acid CAS Name: 4-[[2-methyl-3-oxo-5-(4-propan-2-ylphenoxy)-4-pyridazinyl]amino]benzoic acid IUPAC Name: 4-[[2-methyl-3-oxo-5-(4-propan-2-ylphenoxy)pyridazin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-(4-isopropylphenoxy)-3-keto-2-methyl-pyridazin-4-yl]amino]benzoic acid Formula: C21H21N3O4 MolecularWeight: 379.40914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C)NC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

CC(C)C1=CC=C(C=C1)OC2=C(C(=O)N(N=C2)C)NC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C21H21N3O4/c1-13(2)14-6-10-17(11-7-14)28-18-12-22-24(3)20(25)19(18)23-16-8-4-15(5-9-16)21(26)27/h4-13,23H,1-3H3,(H,26,27)