ethyl 2-tert-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 2-tert-butyl-5-[(2-chloranyl-6-fluoranyl-phenyl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 2-tert-butyl-5-[(2-chloro-6-fluoro-phenyl)methoxy]benzofuran-3-carboxylate CAS Name: 2-tert-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 2-tert-butyl-5-[(2-chloro-6-fluorophenyl)methoxy]-1-benzofuran-3-carboxylate Traditional Name: 2-tert-butyl-5-(2-chloro-6-fluoro-benzyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H22ClFO4 MolecularWeight: 404.859083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=C(C=CC=C3Cl)F)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OCC3=C(C=CC=C3Cl)F)C(C)(C)C

InChI

InChI=1S/C22H22ClFO4/c1-5-26-21(25)19-14-11-13(9-10-18(14)28-20(19)22(2,3)4)27-12-15-16(23)7-6-8-17(15)24/h6-11H,5,12H2,1-4H3