2-[3-(4-cyanophenyl)-2-ethyl-1-benzofuran-5-yl]ethanoate

Systemtic Name: 2-[3-(4-cyanophenyl)-2-ethyl-1-benzofuran-5-yl]ethanoate Openeye Name: 2-[3-(4-cyanophenyl)-2-ethyl-benzofuran-5-yl]acetate CAS Name: 2-[3-(4-cyanophenyl)-2-ethyl-5-benzofuranyl]acetate IUPAC Name: 2-[3-(4-cyanophenyl)-2-ethyl-1-benzofuran-5-yl]acetate Traditional Name: 2-[3-(4-cyanophenyl)-2-ethyl-benzofuran-5-yl]acetate Formula: C19H14NO3- MolecularWeight: 304.31936

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C2=C(O1)C=CC(=C2)CC(=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CCC1=C(C2=C(O1)C=CC(=C2)CC(=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C19H15NO3/c1-2-16-19(14-6-3-12(11-20)4-7-14)15-9-13(10-18(21)22)5-8-17(15)23-16/h3-9H,2,10H2,1H3,(H,21,22)/p-1