tert-butyl 4-[2-(4-propoxyphenyl)ethynyl]benzoate

Systemtic Name: tert-butyl 4-[2-(4-propoxyphenyl)ethynyl]benzoate Openeye Name: tert-butyl 4-[2-(4-propoxyphenyl)ethynyl]benzoate CAS Name: 4-[2-(4-propoxyphenyl)ethynyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-(4-propoxyphenyl)ethynyl]benzoate Traditional Name: 4-[2-(4-propoxyphenyl)ethynyl]benzoic acid tert-butyl ester Formula: C22H24O3 MolecularWeight: 336.42416

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)OC(C)(C)C

InChI

InChI=1S/C22H24O3/c1-5-16-24-20-14-10-18(11-15-20)7-6-17-8-12-19(13-9-17)21(23)25-22(2,3)4/h8-15H,5,16H2,1-4H3