(4-cyano-2-methoxy-phenyl) 4-(3-bromanylphenoxy)butanoate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 4-(3-bromanylphenoxy)butanoate Openeye Name: (4-cyano-2-methoxy-phenyl) 4-(3-bromophenoxy)butanoate CAS Name: 4-(3-bromophenoxy)butanoic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 4-(3-bromophenoxy)butanoate Traditional Name: 4-(3-bromophenoxy)butyric acid (4-cyano-2-methoxy-phenyl) ester Formula: C18H16BrNO4 MolecularWeight: 390.22794

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)CCCOC2=CC(=CC=C2)Br

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)CCCOC2=CC(=CC=C2)Br

InChI

InChI=1S/C18H16BrNO4/c1-22-17-10-13(12-20)7-8-16(17)24-18(21)6-3-9-23-15-5-2-4-14(19)11-15/h2,4-5,7-8,10-11H,3,6,9H2,1H3