[(E)-2-(acetyloxymethyl)-5-methyl-2-[(E)-3-phenylprop-2-enyl]hept-4-en-6-ynyl] ethanoate

Systemtic Name: [(E)-2-(acetyloxymethyl)-5-methyl-2-[(E)-3-phenylprop-2-enyl]hept-4-en-6-ynyl] ethanoate Openeye Name: [(E)-2-(acetoxymethyl)-2-[(E)-cinnamyl]-5-methyl-hept-4-en-6-ynyl] acetate CAS Name: acetic acid [(E)-2-(acetyloxymethyl)-5-methyl-2-[(E)-3-phenylprop-2-enyl]hept-4-en-6-ynyl] ester IUPAC Name: [(E)-2-(acetyloxymethyl)-5-methyl-2-[(E)-3-phenylprop-2-enyl]hept-4-en-6-ynyl] acetate Traditional Name: acetic acid [(E)-2-(acetoxymethyl)-2-[(E)-cinnamyl]-5-methyl-hept-4-en-6-ynyl] ester Formula: C22H26O4 MolecularWeight: 354.43944

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC(CC=CC1=CC=CC=C1)(COC(=O)C)COC(=O)C)C#C

Isomeric SMILES

C/C(=C\CC(C/C=C/C1=CC=CC=C1)(COC(=O)C)COC(=O)C)/C#C

InChI

InChI=1S/C22H26O4/c1-5-18(2)13-15-22(16-25-19(3)23,17-26-20(4)24)14-9-12-21-10-7-6-8-11-21/h1,6-13H,14-17H2,2-4H3/b12-9+,18-13+