(phenylmethyl) 2-(2-ethoxy-1-oxidanyl-4-oxidanylidene-3-pentyl-cyclobut-2-en-1-yl)ethanoate

Systemtic Name: (phenylmethyl) 2-(2-ethoxy-1-oxidanyl-4-oxidanylidene-3-pentyl-cyclobut-2-en-1-yl)ethanoate Openeye Name: benzyl 2-(2-ethoxy-1-hydroxy-4-oxo-3-pentyl-cyclobut-2-en-1-yl)acetate CAS Name: 2-(2-ethoxy-1-hydroxy-4-oxo-3-pentyl-1-cyclobut-2-enyl)acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-(2-ethoxy-1-hydroxy-4-oxo-3-pentylcyclobut-2-en-1-yl)acetate Traditional Name: 2-(3-amyl-2-ethoxy-1-hydroxy-4-keto-cyclobut-2-en-1-yl)acetic acid benzyl ester Formula: C20H26O5 MolecularWeight: 346.41744

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=C(C(C1=O)(CC(=O)OCC2=CC=CC=C2)O)OCC

Isomeric SMILES

CCCCCC1=C(C(C1=O)(CC(=O)OCC2=CC=CC=C2)O)OCC

InChI

InChI=1S/C20H26O5/c1-3-5-7-12-16-18(22)20(23,19(16)24-4-2)13-17(21)25-14-15-10-8-6-9-11-15/h6,8-11,23H,3-5,7,12-14H2,1-2H3