ethyl 4-[4-(4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoate

Systemtic Name: ethyl 4-[4-(4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoate Openeye Name: ethyl 4-[4-(4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoate CAS Name: 4-[4-(4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-ethoxycarbonylphenyl)buta-1,3-diynyl]benzoate Traditional Name: 4-[4-(4-carbethoxyphenyl)buta-1,3-diynyl]benzoic acid ethyl ester Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C(=O)OCC

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C#CC#CC2=CC=C(C=C2)C(=O)OCC

InChI

InChI=1S/C22H18O4/c1-3-25-21(23)19-13-9-17(10-14-19)7-5-6-8-18-11-15-20(16-12-18)22(24)26-4-2/h9-16H,3-4H2,1-2H3