(4-cyanophenyl) 2-benzo[e][1]benzofuran-1-ylethanoate

Systemtic Name: (4-cyanophenyl) 2-benzo[e][1]benzofuran-1-ylethanoate Openeye Name: (4-cyanophenyl) 2-benzo[e]benzofuran-1-ylacetate CAS Name: 2-(1-benzo[e]benzofuranyl)acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-benzo[e][1]benzofuran-1-ylacetate Traditional Name: 2-benzo[e]benzofuran-1-ylacetic acid (4-cyanophenyl) ester Formula: C21H13NO3 MolecularWeight: 327.33282

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OC4=CC=C(C=C4)C#N

Isomeric SMILES

C1=CC=C2C(=C1)C=CC3=C2C(=CO3)CC(=O)OC4=CC=C(C=C4)C#N

InChI

InChI=1S/C21H13NO3/c22-12-14-5-8-17(9-6-14)25-20(23)11-16-13-24-19-10-7-15-3-1-2-4-18(15)21(16)19/h1-10,13H,11H2