(4-cyanophenyl)methyl 2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoate

Systemtic Name: (4-cyanophenyl)methyl 2-(2-bromanyl-4,5-diethoxy-phenyl)ethanoate Openeye Name: (4-cyanophenyl)methyl 2-(2-bromo-4,5-diethoxy-phenyl)acetate CAS Name: 2-(2-bromo-4,5-diethoxyphenyl)acetic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 2-(2-bromo-4,5-diethoxyphenyl)acetate Traditional Name: 2-(2-bromo-4,5-diethoxy-phenyl)acetic acid (4-cyanobenzyl) ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)C#N)Br)OCC

Isomeric SMILES

CCOC1=C(C=C(C(=C1)CC(=O)OCC2=CC=C(C=C2)C#N)Br)OCC

InChI

InChI=1S/C20H20BrNO4/c1-3-24-18-9-16(17(21)11-19(18)25-4-2)10-20(23)26-13-15-7-5-14(12-22)6-8-15/h5-9,11H,3-4,10,13H2,1-2H3