2,7-dimethyloct-7-en-5-yn-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate

Systemtic Name: 2,7-dimethyloct-7-en-5-yn-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Openeye Name: (1-isobutyl-4-methyl-pent-4-en-2-ynyl) (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate CAS Name: (E)-3-[3-(trifluoromethyl)phenyl]-2-propenoic acid 2,7-dimethyloct-7-en-5-yn-4-yl ester IUPAC Name: 2,7-dimethyloct-7-en-5-yn-4-yl (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enoate Traditional Name: (E)-3-[3-(trifluoromethyl)phenyl]acrylic acid (1-isobutyl-4-methyl-pent-4-en-2-ynyl) ester Formula: C20H21F3O2 MolecularWeight: 350.37475

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C#CC(=C)C)OC(=O)C=CC1=CC(=CC=C1)C(F)(F)F

Isomeric SMILES

CC(C)CC(C#CC(=C)C)OC(=O)/C=C/C1=CC(=CC=C1)C(F)(F)F

InChI

InChI=1S/C20H21F3O2/c1-14(2)8-10-18(12-15(3)4)25-19(24)11-9-16-6-5-7-17(13-16)20(21,22)23/h5-7,9,11,13,15,18H,1,12H2,2-4H3/b11-9+