3H-2-benzofuran-1-one; (phenylmethyl) 2-methylpentanoate

Systemtic Name: 3H-2-benzofuran-1-one; (phenylmethyl) 2-methylpentanoate Openeye Name: benzyl 2-methylpentanoate; 3H-isobenzofuran-1-one CAS Name: 3H-isobenzofuran-1-one; 2-methylpentanoic acid (phenylmethyl) ester IUPAC Name: 3H-2-benzofuran-1-one; benzyl 2-methylpentanoate Traditional Name: 2-methylvaleric acid benzyl ester; phthalide Formula: C21H24O4 MolecularWeight: 340.41286

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)C(=O)OCC1=CC=CC=C1.C1C2=CC=CC=C2C(=O)O1

Isomeric SMILES

CCCC(C)C(=O)OCC1=CC=CC=C1.C1C2=CC=CC=C2C(=O)O1

InChI

InChI=1S/C13H18O2.C8H6O2/c1-3-7-11(2)13(14)15-10-12-8-5-4-6-9-12;9-8-7-4-2-1-3-6(7)5-10-8/h4-6,8-9,11H,3,7,10H2,1-2H3;1-4H,5H2