ethyl 6-bromanyl-5-(cyanomethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 6-bromanyl-5-(cyanomethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate Openeye Name: ethyl 6-bromo-5-(cyanomethoxy)-2-(4-methoxyphenyl)benzofuran-3-carboxylate CAS Name: 6-bromo-5-(cyanomethoxy)-2-(4-methoxyphenyl)-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 6-bromo-5-(cyanomethoxy)-2-(4-methoxyphenyl)-1-benzofuran-3-carboxylate Traditional Name: 6-bromo-5-(cyanomethoxy)-2-(4-methoxyphenyl)benzofuran-3-carboxylic acid ethyl ester Formula: C20H16BrNO5 MolecularWeight: 430.24874

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC#N)Br)C3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)C1=C(OC2=CC(=C(C=C21)OCC#N)Br)C3=CC=C(C=C3)OC

InChI

InChI=1S/C20H16BrNO5/c1-3-25-20(23)18-14-10-17(26-9-8-22)15(21)11-16(14)27-19(18)12-4-6-13(24-2)7-5-12/h4-7,10-11H,3,9H2,1-2H3