pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-2-(phenylmethyl)benzoate

Systemtic Name: pyridazin-4-yl 6-chloranyl-3-(2-cyclopropyl-6-methyl-phenoxy)-2-(phenylmethyl)benzoate Openeye Name: pyridazin-4-yl 2-benzyl-6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 6-chloro-3-(2-cyclopropyl-6-methylphenoxy)-2-(phenylmethyl)benzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-benzyl-6-chloro-3-(2-cyclopropyl-6-methylphenoxy)benzoate Traditional Name: 2-benzyl-6-chloro-3-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C28H23ClN2O3 MolecularWeight: 470.94682

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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)CC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(C(=C(C=C2)Cl)C(=O)OC3=CN=NC=C3)CC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H23ClN2O3/c1-18-6-5-9-22(20-10-11-20)27(18)34-25-13-12-24(29)26(23(25)16-19-7-3-2-4-8-19)28(32)33-21-14-15-30-31-17-21/h2-9,12-15,17,20H,10-11,16H2,1H3