pyridazin-4-yl 3-(3-tert-butylphenoxy)-6-chloranyl-2-methyl-benzoate

Systemtic Name: pyridazin-4-yl 3-(3-tert-butylphenoxy)-6-chloranyl-2-methyl-benzoate Openeye Name: pyridazin-4-yl 3-(3-tert-butylphenoxy)-6-chloro-2-methyl-benzoate CAS Name: 3-(3-tert-butylphenoxy)-6-chloro-2-methylbenzoic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 3-(3-tert-butylphenoxy)-6-chloro-2-methylbenzoate Traditional Name: 3-(3-tert-butylphenoxy)-6-chloro-2-methyl-benzoic acid pyridazin-4-yl ester Formula: C22H21ClN2O3 MolecularWeight: 396.86674

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C(=O)OC2=CN=NC=C2)Cl)OC3=CC=CC(=C3)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1C(=O)OC2=CN=NC=C2)Cl)OC3=CC=CC(=C3)C(C)(C)C

InChI

InChI=1S/C22H21ClN2O3/c1-14-19(27-16-7-5-6-15(12-16)22(2,3)4)9-8-18(23)20(14)21(26)28-17-10-11-24-25-13-17/h5-13H,1-4H3