[6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3,5-dimethylbenzoate

Systemtic Name: [6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3,5-dimethylbenzoate Openeye Name: [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] 3,5-dimethylbenzoate CAS Name: 3,5-dimethylbenzoic acid [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-4-pyridazinyl] ester IUPAC Name: [6-chloro-3-(2-cyclopropyl-6-methylphenoxy)pyridazin-4-yl] 3,5-dimethylbenzoate Traditional Name: 3,5-dimethylbenzoic acid [6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)pyridazin-4-yl] ester Formula: C23H21ClN2O3 MolecularWeight: 408.87744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H21ClN2O3/c1-13-9-14(2)11-17(10-13)23(27)28-19-12-20(24)25-26-22(19)29-21-15(3)5-4-6-18(21)16-7-8-16/h4-6,9-12,16H,7-8H2,1-3H3