pyridazin-4-yl 4-butyl-2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate

Systemtic Name: pyridazin-4-yl 4-butyl-2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate Openeye Name: pyridazin-4-yl 4-butyl-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 4-butyl-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 4-butyl-2-chloro-5-(2-cyclopropyl-6-methylphenoxy)benzoate Traditional Name: 4-butyl-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C25H25ClN2O3 MolecularWeight: 436.9306

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C=C(C(=C1)Cl)C(=O)OC2=CN=NC=C2)OC3=C(C=CC=C3C)C4CC4

Isomeric SMILES

CCCCC1=C(C=C(C(=C1)Cl)C(=O)OC2=CN=NC=C2)OC3=C(C=CC=C3C)C4CC4

InChI

InChI=1S/C25H25ClN2O3/c1-3-4-7-18-13-22(26)21(25(29)30-19-11-12-27-28-15-19)14-23(18)31-24-16(2)6-5-8-20(24)17-9-10-17/h5-6,8,11-15,17H,3-4,7,9-10H2,1-2H3