[3-(trifluoromethyl)phenyl]methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [3-(trifluoromethyl)phenyl]methyl 5-bromanyl-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [3-(trifluoromethyl)phenyl]methyl 5-bromo-3-methyl-benzofuran-2-carboxylate CAS Name: 5-bromo-3-methyl-2-benzofurancarboxylic acid [3-(trifluoromethyl)phenyl]methyl ester IUPAC Name: [3-(trifluoromethyl)phenyl]methyl 5-bromo-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-bromo-3-methyl-coumarilic acid [3-(trifluoromethyl)benzyl] ester Formula: C18H12BrF3O3 MolecularWeight: 413.18529

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

CC1=C(OC2=C1C=C(C=C2)Br)C(=O)OCC3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C18H12BrF3O3/c1-10-14-8-13(19)5-6-15(14)25-16(10)17(23)24-9-11-3-2-4-12(7-11)18(20,21)22/h2-8H,9H2,1H3