3-chloranyl-6-(2-cyclopropyl-6-methyl-phenoxy)-2-pyridazin-4-yloxycarbonyl-benzoic acid

Systemtic Name: 3-chloranyl-6-(2-cyclopropyl-6-methyl-phenoxy)-2-pyridazin-4-yloxycarbonyl-benzoic acid Openeye Name: 3-chloro-6-(2-cyclopropyl-6-methyl-phenoxy)-2-pyridazin-4-yloxycarbonyl-benzoic acid CAS Name: 3-chloro-6-(2-cyclopropyl-6-methylphenoxy)-2-[oxo(4-pyridazinyloxy)methyl]benzoic acid IUPAC Name: 3-chloro-6-(2-cyclopropyl-6-methylphenoxy)-2-pyridazin-4-yloxycarbonylbenzoic acid Traditional Name: 3-chloro-6-(2-cyclopropyl-6-methyl-phenoxy)-2-pyridazin-4-yloxycarbonyl-benzoic acid Formula: C22H17ClN2O5 MolecularWeight: 424.83378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C(=O)O)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)C(=O)O)C4CC4

InChI

InChI=1S/C22H17ClN2O5/c1-12-3-2-4-15(13-5-6-13)20(12)30-17-8-7-16(23)18(19(17)21(26)27)22(28)29-14-9-10-24-25-11-14/h2-4,7-11,13H,5-6H2,1H3,(H,26,27)