[2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate

Systemtic Name: [2-methoxy-4-(3-oxidanylidenebutyl)phenyl] 3-(2-chloranyl-6-fluoranyl-phenyl)-5-methyl-1,2-oxazole-4-carboxylate Openeye Name: [2-methoxy-4-(3-oxobutyl)phenyl] 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylate CAS Name: 3-(2-chloro-6-fluorophenyl)-5-methyl-4-isoxazolecarboxylic acid [2-methoxy-4-(3-oxobutyl)phenyl] ester IUPAC Name: [2-methoxy-4-(3-oxobutyl)phenyl] 3-(2-chloro-6-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylate Traditional Name: 3-(2-chloro-6-fluoro-phenyl)-5-methyl-isoxazole-4-carboxylic acid [4-(3-ketobutyl)-2-methoxy-phenyl] ester Formula: C22H19ClFNO5 MolecularWeight: 431.841363

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OC3=C(C=C(C=C3)CCC(=O)C)OC

Isomeric SMILES

CC1=C(C(=NO1)C2=C(C=CC=C2Cl)F)C(=O)OC3=C(C=C(C=C3)CCC(=O)C)OC

InChI

InChI=1S/C22H19ClFNO5/c1-12(26)7-8-14-9-10-17(18(11-14)28-3)29-22(27)19-13(2)30-25-21(19)20-15(23)5-4-6-16(20)24/h4-6,9-11H,7-8H2,1-3H3