2-phenyl-2-propan-2-yloxy-3-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid

Systemtic Name: 2-phenyl-2-propan-2-yloxy-3-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Openeye Name: 2-isopropoxy-2-phenyl-3-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid CAS Name: 2-phenyl-2-propan-2-yloxy-3-[3-(trifluoromethyl)phenyl]-4-pentynoic acid IUPAC Name: 2-phenyl-2-propan-2-yloxy-3-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Traditional Name: 2-isopropoxy-2-phenyl-3-[3-(trifluoromethyl)phenyl]pent-4-ynoic acid Formula: C21H19F3O3 MolecularWeight: 376.36897

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3O3/c1-4-18(15-9-8-12-17(13-15)21(22,23)24)20(19(25)26,27-14(2)3)16-10-6-5-7-11-16/h1,5-14,18H,2-3H3,(H,25,26)