methyl 4-[4-(4-methoxycarbonyl-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoate

Systemtic Name: methyl 4-[4-(4-methoxycarbonyl-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoate Openeye Name: methyl 4-[4-(4-methoxycarbonyl-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoate CAS Name: 4-[4-(4-methoxycarbonyl-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoic acid methyl ester IUPAC Name: methyl 4-[4-(4-methoxycarbonyl-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoate Traditional Name: 4-[4-(4-carbomethoxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid methyl ester Formula: C22H18O4 MolecularWeight: 346.37592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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