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

Systemtic Name: (4-tert-butylphenyl) 3-[3-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate Openeye Name: (4-tert-butylphenyl) 3-[3-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate CAS Name: 3-[3-[4-(trifluoromethyl)phenyl]phenyl]-2-propynoic acid (4-tert-butylphenyl) ester IUPAC Name: (4-tert-butylphenyl) 3-[3-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate Traditional Name: 3-[3-[4-(trifluoromethyl)phenyl]phenyl]propiolic acid (4-tert-butylphenyl) ester Formula: C26H21F3O2 MolecularWeight: 422.43895

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)OC(=O)C#CC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)OC(=O)C#CC2=CC(=CC=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C26H21F3O2/c1-25(2,3)21-12-14-23(15-13-21)31-24(30)16-7-18-5-4-6-20(17-18)19-8-10-22(11-9-19)26(27,28)29/h4-6,8-15,17H,1-3H3