[4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-phenyl] ethanoate

Systemtic Name: [4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-phenyl] ethanoate Openeye Name: [4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-phenyl] acetate CAS Name: acetic acid [4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethynyl]-6-methylphenyl] ester IUPAC Name: [4-(hydroxymethyl)-2-[2-(4-methoxyphenyl)ethynyl]-6-methylphenyl] acetate Traditional Name: acetic acid [2-[2-(4-methoxyphenyl)ethynyl]-6-methyl-4-methylol-phenyl] ester Formula: C19H18O4 MolecularWeight: 310.34382

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)CO)C#CC2=CC=C(C=C2)OC)OC(=O)C

Isomeric SMILES

CC1=C(C(=CC(=C1)CO)C#CC2=CC=C(C=C2)OC)OC(=O)C

InChI

InChI=1S/C19H18O4/c1-13-10-16(12-20)11-17(19(13)23-14(2)21)7-4-15-5-8-18(22-3)9-6-15/h5-6,8-11,20H,12H2,1-3H3