[2,6-bis(bromanyl)-4-cyano-phenyl] 2-[4-(3-methylbutoxy)phenoxy]ethanoate

Systemtic Name: [2,6-bis(bromanyl)-4-cyano-phenyl] 2-[4-(3-methylbutoxy)phenoxy]ethanoate Openeye Name: (2,6-dibromo-4-cyano-phenyl) 2-(4-isopentyloxyphenoxy)acetate CAS Name: 2-[4-(3-methylbutoxy)phenoxy]acetic acid (2,6-dibromo-4-cyanophenyl) ester IUPAC Name: (2,6-dibromo-4-cyanophenyl) 2-[4-(3-methylbutoxy)phenoxy]acetate Traditional Name: 2-(4-isoamoxyphenoxy)acetic acid (2,6-dibromo-4-cyano-phenyl) ester Formula: C20H19Br2NO4 MolecularWeight: 497.17716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

Isomeric SMILES

CC(C)CCOC1=CC=C(C=C1)OCC(=O)OC2=C(C=C(C=C2Br)C#N)Br

InChI

InChI=1S/C20H19Br2NO4/c1-13(2)7-8-25-15-3-5-16(6-4-15)26-12-19(24)27-20-17(21)9-14(11-23)10-18(20)22/h3-6,9-10,13H,7-8,12H2,1-2H3