ethyl 6-bromanyl-2-tert-butyl-5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-2-tert-butyl-5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-2-tert-butyl-5-[(4-fluorophenyl)methoxy]benzofuran-3-carboxylate CAS Name: 6-bromo-2-tert-butyl-5-[(4-fluorophenyl)methoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-2-tert-butyl-5-[(4-fluorophenyl)methoxy]-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-2-tert-butyl-5-(4-fluorobenzyl)oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H22BrFO4 MolecularWeight: 449.310083

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=C(C=C3)F)Br)C(C)(C)C

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC3=CC=C(C=C3)F)Br)C(C)(C)C

InChI

InChI=1S/C22H22BrFO4/c1-5-26-21(25)19-15-10-18(27-12-13-6-8-14(24)9-7-13)16(23)11-17(15)28-20(19)22(2,3)4/h6-11H,5,12H2,1-4H3