ethyl 4-bromanyl-2-methanoyl-7-methyl-5-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 4-bromanyl-2-methanoyl-7-methyl-5-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-3-carboxylate Openeye Name: ethyl 4-bromo-2-formyl-7-methyl-5-[(E)-3-phenylprop-2-enoyl]oxy-benzofuran-3-carboxylate CAS Name: 4-bromo-2-formyl-7-methyl-5-[(E)-1-oxo-3-phenylprop-2-enoxy]-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 4-bromo-2-formyl-7-methyl-5-[(E)-3-phenylprop-2-enoyl]oxy-1-benzofuran-3-carboxylate Traditional Name: 4-bromo-2-formyl-7-methyl-5-[(E)-3-phenylacryloyl]oxy-benzofuran-3-carboxylic acid ethyl ester Formula: C22H17BrO6 MolecularWeight: 457.27078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)C=CC3=CC=CC=C3)Br)C=O

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C(=C(C=C2C)OC(=O)/C=C/C3=CC=CC=C3)Br)C=O

InChI

InChI=1S/C22H17BrO6/c1-3-27-22(26)18-16(12-24)29-21-13(2)11-15(20(23)19(18)21)28-17(25)10-9-14-7-5-4-6-8-14/h4-12H,3H2,1-2H3/b10-9+