[2-[2-(4-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate

Systemtic Name: [2-[2-(4-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] ethanoate Openeye Name: [2-[2-(4-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxy-phenyl] acetate CAS Name: acetic acid [2-[2-(4-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxyphenyl] ester IUPAC Name: [2-[2-(4-butylphenyl)ethynyl]-4-(hydroxymethyl)-6-methoxyphenyl] acetate Traditional Name: acetic acid [2-[2-(4-butylphenyl)ethynyl]-6-methoxy-4-methylol-phenyl] ester Formula: C22H24O4 MolecularWeight: 352.42356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C#CC2=CC(=CC(=C2OC(=O)C)OC)CO

Isomeric SMILES

CCCCC1=CC=C(C=C1)C#CC2=CC(=CC(=C2OC(=O)C)OC)CO

InChI

InChI=1S/C22H24O4/c1-4-5-6-17-7-9-18(10-8-17)11-12-20-13-19(15-23)14-21(25-3)22(20)26-16(2)24/h7-10,13-14,23H,4-6,15H2,1-3H3