pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)oxane-4-carboxylate

Systemtic Name: pyridazin-4-yl 2-chloranyl-5-(2-cyclopropyl-6-methyl-phenoxy)oxane-4-carboxylate Openeye Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)tetrahydropyran-4-carboxylate CAS Name: 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)-4-oxanecarboxylic acid 4-pyridazinyl ester IUPAC Name: pyridazin-4-yl 2-chloro-5-(2-cyclopropyl-6-methylphenoxy)oxane-4-carboxylate Traditional Name: 2-chloro-5-(2-cyclopropyl-6-methyl-phenoxy)tetrahydropyran-4-carboxylic acid pyridazin-4-yl ester Formula: C20H21ClN2O4 MolecularWeight: 388.84474

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1OC2COC(CC2C(=O)OC3=CN=NC=C3)Cl)C4CC4

Isomeric SMILES

CC1=CC=CC(=C1OC2COC(CC2C(=O)OC3=CN=NC=C3)Cl)C4CC4

InChI

InChI=1S/C20H21ClN2O4/c1-12-3-2-4-15(13-5-6-13)19(12)27-17-11-25-18(21)9-16(17)20(24)26-14-7-8-22-23-10-14/h2-4,7-8,10,13,16-18H,5-6,9,11H2,1H3