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

Systemtic Name: 2-[3-(4-cyanophenyl)-2-methyl-1-benzofuran-5-yl]ethanoate Openeye Name: 2-[3-(4-cyanophenyl)-2-methyl-benzofuran-5-yl]acetate CAS Name: 2-[3-(4-cyanophenyl)-2-methyl-5-benzofuranyl]acetate IUPAC Name: 2-[3-(4-cyanophenyl)-2-methyl-1-benzofuran-5-yl]acetate Traditional Name: 2-[3-(4-cyanophenyl)-2-methyl-benzofuran-5-yl]acetate Formula: C18H12NO3- MolecularWeight: 290.29278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C=CC(=C2)CC(=O)[O-])C3=CC=C(C=C3)C#N

Isomeric SMILES

CC1=C(C2=C(O1)C=CC(=C2)CC(=O)[O-])C3=CC=C(C=C3)C#N

InChI

InChI=1S/C18H13NO3/c1-11-18(14-5-2-12(10-19)3-6-14)15-8-13(9-17(20)21)4-7-16(15)22-11/h2-8H,9H2,1H3,(H,20,21)/p-1