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

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)-4-phenylmethoxy-benzoate Openeye Name: pyridazin-4-yl 4-benzyloxy-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-phenylmethoxybenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-phenylmethoxybenzoate Traditional Name: 4-benzoxy-2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)benzoic acid pyridazin-4-yl ester Formula: C28H23ClN2O4 MolecularWeight: 486.94622

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2=C(C=C(C(=C2)C(=O)OC3=CN=NC=C3)Cl)OCC4=CC=CC=C4)C5CC5

Isomeric SMILES

CC1=CC=CC(=C1OC2=C(C=C(C(=C2)C(=O)OC3=CN=NC=C3)Cl)OCC4=CC=CC=C4)C5CC5

InChI

InChI=1S/C28H23ClN2O4/c1-18-6-5-9-22(20-10-11-20)27(18)35-26-14-23(28(32)34-21-12-13-30-31-16-21)24(29)15-25(26)33-17-19-7-3-2-4-8-19/h2-9,12-16,20H,10-11,17H2,1H3