2-(4-cyanophenoxy)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate

Systemtic Name: 2-(4-cyanophenoxy)ethyl 4-(5-bromanyl-2-methoxy-phenyl)-4-oxidanylidene-butanoate Openeye Name: 2-(4-cyanophenoxy)ethyl 4-(5-bromo-2-methoxy-phenyl)-4-oxo-butanoate CAS Name: 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoic acid 2-(4-cyanophenoxy)ethyl ester IUPAC Name: 2-(4-cyanophenoxy)ethyl 4-(5-bromo-2-methoxyphenyl)-4-oxobutanoate Traditional Name: 4-(5-bromo-2-methoxy-phenyl)-4-keto-butyric acid 2-(4-cyanophenoxy)ethyl ester Formula: C20H18BrNO5 MolecularWeight: 432.26462

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCOC2=CC=C(C=C2)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)C(=O)CCC(=O)OCCOC2=CC=C(C=C2)C#N

InChI

InChI=1S/C20H18BrNO5/c1-25-19-8-4-15(21)12-17(19)18(23)7-9-20(24)27-11-10-26-16-5-2-14(13-22)3-6-16/h2-6,8,12H,7,9-11H2,1H3