(E)-N-(4-bromanyl-2-fluoranyl-phenyl)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide

Systemtic Name: (E)-N-(4-bromanyl-2-fluoranyl-phenyl)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide Openeye Name: (E)-N-(4-bromo-2-fluoro-phenyl)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enamide CAS Name: (E)-N-(4-bromo-2-fluorophenyl)-3-(6-ethoxy-2,3-dimethyl-5-benzofuranyl)-2-butenamide IUPAC Name: (E)-N-(4-bromo-2-fluorophenyl)-3-(6-ethoxy-2,3-dimethyl-1-benzofuran-5-yl)but-2-enamide Traditional Name: (E)-N-(4-bromo-2-fluoro-phenyl)-3-(6-ethoxy-2,3-dimethyl-benzofuran-5-yl)but-2-enamide Formula: C22H21BrFNO3 MolecularWeight: 446.309443

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(=C(OC2=C1)C)C)C(=CC(=O)NC3=C(C=C(C=C3)Br)F)C

Isomeric SMILES

CCOC1=C(C=C2C(=C(OC2=C1)C)C)/C(=C/C(=O)NC3=C(C=C(C=C3)Br)F)/C

InChI

InChI=1S/C22H21BrFNO3/c1-5-27-20-11-21-17(13(3)14(4)28-21)10-16(20)12(2)8-22(26)25-19-7-6-15(23)9-18(19)24/h6-11H,5H2,1-4H3,(H,25,26)/b12-8+