ethyl 2-[2-[2-acetyloxy-5-(hydroxymethyl)-3-methoxy-phenyl]ethynyl]cyclopentene-1-carboxylate

Systemtic Name: ethyl 2-[2-[2-acetyloxy-5-(hydroxymethyl)-3-methoxy-phenyl]ethynyl]cyclopentene-1-carboxylate Openeye Name: ethyl 2-[2-[2-acetoxy-5-(hydroxymethyl)-3-methoxy-phenyl]ethynyl]cyclopentene-1-carboxylate CAS Name: 2-[2-[2-acetyloxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]-1-cyclopentenecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-[2-acetyloxy-5-(hydroxymethyl)-3-methoxyphenyl]ethynyl]cyclopentene-1-carboxylate Traditional Name: 2-[2-(2-acetoxy-3-methoxy-5-methylol-phenyl)ethynyl]cyclopentene-1-carboxylic acid ethyl ester Formula: C20H22O6 MolecularWeight: 358.38508

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(CCC1)C#CC2=CC(=CC(=C2OC(=O)C)OC)CO

Isomeric SMILES

CCOC(=O)C1=C(CCC1)C#CC2=CC(=CC(=C2OC(=O)C)OC)CO

InChI

InChI=1S/C20H22O6/c1-4-25-20(23)17-7-5-6-15(17)8-9-16-10-14(12-21)11-18(24-3)19(16)26-13(2)22/h10-11,21H,4-7,12H2,1-3H3