(4-tert-butylphenyl) 3-[3-(4-ethanoylphenyl)phenyl]prop-2-ynoate

Systemtic Name: (4-tert-butylphenyl) 3-[3-(4-ethanoylphenyl)phenyl]prop-2-ynoate Openeye Name: (4-tert-butylphenyl) 3-[3-(4-acetylphenyl)phenyl]prop-2-ynoate CAS Name: 3-[3-(4-acetylphenyl)phenyl]-2-propynoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-[3-(4-acetylphenyl)phenyl]prop-2-ynoate Traditional Name: 3-[3-(4-acetylphenyl)phenyl]propiolic acid (4-tert-butylphenyl) ester Formula: C27H24O3 MolecularWeight: 396.47766

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC(=O)OC3=CC=C(C=C3)C(C)(C)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)C2=CC=CC(=C2)C#CC(=O)OC3=CC=C(C=C3)C(C)(C)C

InChI

InChI=1S/C27H24O3/c1-19(28)21-9-11-22(12-10-21)23-7-5-6-20(18-23)8-17-26(29)30-25-15-13-24(14-16-25)27(2,3)4/h5-7,9-16,18H,1-4H3