(5-methyl-2-propan-2-yl-phenyl) 3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate

Systemtic Name: (5-methyl-2-propan-2-yl-phenyl) 3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate Openeye Name: (2-isopropyl-5-methyl-phenyl) 3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate CAS Name: 3-[4-[4-(trifluoromethyl)phenyl]phenyl]-2-propynoic acid (5-methyl-2-propan-2-ylphenyl) ester IUPAC Name: (5-methyl-2-propan-2-ylphenyl) 3-[4-[4-(trifluoromethyl)phenyl]phenyl]prop-2-ynoate Traditional Name: 3-[4-[4-(trifluoromethyl)phenyl]phenyl]propiolic acid (2-isopropyl-5-methyl-phenyl) ester Formula: C26H21F3O2 MolecularWeight: 422.43895

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OC(=O)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC(=O)C#CC2=CC=C(C=C2)C3=CC=C(C=C3)C(F)(F)F

InChI

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