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

Systemtic Name: (5-cyano-3,3-dimethyl-2H-1-benzofuran-2-yl) pentanoate Openeye Name: (5-cyano-3,3-dimethyl-2H-benzofuran-2-yl) pentanoate CAS Name: pentanoic acid (5-cyano-3,3-dimethyl-2H-benzofuran-2-yl) ester IUPAC Name: (5-cyano-3,3-dimethyl-2H-1-benzofuran-2-yl) pentanoate Traditional Name: valeric 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:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H19NO3/c1-4-5-6-14(18)20-15-16(2,3)12-9-11(10-17)7-8-13(12)19-15/h7-9,15H,4-6H2,1-3H3