(5-cyano-3,3-dimethyl-2H-1-benzofuran-2-yl) 3-methylbutanoate

Systemtic Name: (5-cyano-3,3-dimethyl-2H-1-benzofuran-2-yl) 3-methylbutanoate Openeye Name: (5-cyano-3,3-dimethyl-2H-benzofuran-2-yl) 3-methylbutanoate CAS Name: 3-methylbutanoic acid (5-cyano-3,3-dimethyl-2H-benzofuran-2-yl) ester IUPAC Name: (5-cyano-3,3-dimethyl-2H-1-benzofuran-2-yl) 3-methylbutanoate Traditional Name: 3-methylbutyric acid (5-cyano-3,3-dimethyl-coumaran-2-yl) ester Formula: C16H19NO3 MolecularWeight: 273.32696

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(=O)OC1C(C2=C(O1)C=CC(=C2)C#N)(C)C

Isomeric SMILES

CC(C)CC(=O)OC1C(C2=C(O1)C=CC(=C2)C#N)(C)C

InChI

InChI=1S/C16H19NO3/c1-10(2)7-14(18)20-15-16(3,4)12-8-11(9-17)5-6-13(12)19-15/h5-6,8,10,15H,7H2,1-4H3