(2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(3-methylphenoxy)butanoate

Systemtic Name: (2-bromanyl-4-cyano-6-ethoxy-phenyl) 4-(3-methylphenoxy)butanoate Openeye Name: (2-bromo-4-cyano-6-ethoxy-phenyl) 4-(3-methylphenoxy)butanoate CAS Name: 4-(3-methylphenoxy)butanoic acid (2-bromo-4-cyano-6-ethoxyphenyl) ester IUPAC Name: (2-bromo-4-cyano-6-ethoxyphenyl) 4-(3-methylphenoxy)butanoate Traditional Name: 4-(3-methylphenoxy)butyric acid (2-bromo-4-cyano-6-ethoxy-phenyl) ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCOC2=CC=CC(=C2)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C#N)Br)OC(=O)CCCOC2=CC=CC(=C2)C

InChI

InChI=1S/C20H20BrNO4/c1-3-24-18-12-15(13-22)11-17(21)20(18)26-19(23)8-5-9-25-16-7-4-6-14(2)10-16/h4,6-7,10-12H,3,5,8-9H2,1-2H3