2-propan-2-yloxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid

Systemtic Name: 2-propan-2-yloxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid Openeye Name: 2-isopropoxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid CAS Name: 2-propan-2-yloxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid IUPAC Name: 2-propan-2-yloxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propanoic acid Traditional Name: 2-isopropoxy-3-[4-prop-1-ynyl-3-[3-(trifluoromethyl)phenoxy]phenyl]propionic acid Formula: C22H21F3O4 MolecularWeight: 406.39495

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC1=C(C=C(C=C1)CC(C(=O)O)OC(C)C)OC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC#CC1=C(C=C(C=C1)CC(C(=O)O)OC(C)C)OC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C22H21F3O4/c1-4-6-16-10-9-15(12-20(21(26)27)28-14(2)3)11-19(16)29-18-8-5-7-17(13-18)22(23,24)25/h5,7-11,13-14,20H,12H2,1-3H3,(H,26,27)