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

Systemtic Name: ethyl 4-[4-(4-ethoxycarbonyl-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoate Openeye Name: ethyl 4-[4-(4-ethoxycarbonyl-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoate CAS Name: 4-[4-(4-ethoxycarbonyl-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-ethoxycarbonyl-3-methylphenyl)buta-1,3-diynyl]-2-methylbenzoate Traditional Name: 4-[4-(4-carbethoxy-3-methyl-phenyl)buta-1,3-diynyl]-2-methyl-benzoic acid ethyl ester Formula: C24H22O4 MolecularWeight: 374.42908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H22O4/c1-5-27-23(25)21-13-11-19(15-17(21)3)9-7-8-10-20-12-14-22(18(4)16-20)24(26)28-6-2/h11-16H,5-6H2,1-4H3