[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-methylpyridine-3-carboxylate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-methylpyridine-3-carboxylate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 2-methylpyridine-3-carboxylate CAS Name: 2-methyl-3-pyridinecarboxylic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 2-methylpyridine-3-carboxylate Traditional Name: 2-methylnicotinic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C21H18ClN3O3 MolecularWeight: 395.83892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)C)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2=NN=C(C=C2OC(=O)C3=C(N=CC=C3)C)Cl)C4CC4

InChI

InChI=1S/C21H18ClN3O3/c1-12-5-3-6-16(14-8-9-14)19(12)28-20-17(11-18(22)24-25-20)27-21(26)15-7-4-10-23-13(15)2/h3-7,10-11,14H,8-9H2,1-2H3