(4-cyanophenyl) 2-(5-tert-butyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: (4-cyanophenyl) 2-(5-tert-butyl-1-benzofuran-3-yl)ethanoate Openeye Name: (4-cyanophenyl) 2-(5-tert-butylbenzofuran-3-yl)acetate CAS Name: 2-(5-tert-butyl-3-benzofuranyl)acetic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 2-(5-tert-butyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(5-tert-butylbenzofuran-3-yl)acetic acid (4-cyanophenyl) ester Formula: C21H19NO3 MolecularWeight: 333.38046

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)OC3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(C)C1=CC2=C(C=C1)OC=C2CC(=O)OC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H19NO3/c1-21(2,3)16-6-9-19-18(11-16)15(13-24-19)10-20(23)25-17-7-4-14(12-22)5-8-17/h4-9,11,13H,10H2,1-3H3