ethyl 2-[[4-(5-bromanyl-3-cyano-furan-2-yl)phenyl]methyl]-3-oxidanylidene-hexanoate

Systemtic Name: ethyl 2-[[4-(5-bromanyl-3-cyano-furan-2-yl)phenyl]methyl]-3-oxidanylidene-hexanoate Openeye Name: ethyl 2-[[4-(5-bromo-3-cyano-2-furyl)phenyl]methyl]-3-oxo-hexanoate CAS Name: 2-[[4-(5-bromo-3-cyano-2-furanyl)phenyl]methyl]-3-oxohexanoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(5-bromo-3-cyanofuran-2-yl)phenyl]methyl]-3-oxohexanoate Traditional Name: 2-[4-(5-bromo-3-cyano-2-furyl)benzyl]-3-keto-hexanoic acid ethyl ester Formula: C20H20BrNO4 MolecularWeight: 418.2811

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C(CC1=CC=C(C=C1)C2=C(C=C(O2)Br)C#N)C(=O)OCC

Isomeric SMILES

CCCC(=O)C(CC1=CC=C(C=C1)C2=C(C=C(O2)Br)C#N)C(=O)OCC

InChI

InChI=1S/C20H20BrNO4/c1-3-5-17(23)16(20(24)25-4-2)10-13-6-8-14(9-7-13)19-15(12-22)11-18(21)26-19/h6-9,11,16H,3-5,10H2,1-2H3