methyl 3-[4-(3-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate

Systemtic Name: methyl 3-[4-(3-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate Openeye Name: methyl 3-[4-(3-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate CAS Name: 3-[4-(3-methoxycarbonylphenyl)buta-1,3-diynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[4-(3-methoxycarbonylphenyl)buta-1,3-diynyl]benzoate Traditional Name: 3-[4-(3-carbomethoxyphenyl)buta-1,3-diynyl]benzoic acid methyl ester Formula: C20H14O4 MolecularWeight: 318.32276

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC#CC2=CC(=CC=C2)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC#CC2=CC(=CC=C2)C(=O)OC

InChI

InChI=1S/C20H14O4/c1-23-19(21)17-11-5-9-15(13-17)7-3-4-8-16-10-6-12-18(14-16)20(22)24-2/h5-6,9-14H,1-2H3