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

Systemtic Name: 3-[2-but-1-ynyl-3-oxidanyl-4-[3-(trifluoromethyl)phenyl]phenyl]-2-propan-2-yloxy-propanoic acid Openeye Name: 3-[2-but-1-ynyl-3-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-isopropoxy-propanoic acid CAS Name: 3-[2-but-1-ynyl-3-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-propan-2-yloxypropanoic acid IUPAC Name: 3-[2-but-1-ynyl-3-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-propan-2-yloxypropanoic acid Traditional Name: 3-[2-but-1-ynyl-3-hydroxy-4-[3-(trifluoromethyl)phenyl]phenyl]-2-isopropoxy-propionic acid Formula: C23H23F3O4 MolecularWeight: 420.42153

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Descriptors Computed from Structure

Canonical SMILES:

CCC#CC1=C(C=CC(=C1O)C2=CC(=CC=C2)C(F)(F)F)CC(C(=O)O)OC(C)C

Isomeric SMILES

CCC#CC1=C(C=CC(=C1O)C2=CC(=CC=C2)C(F)(F)F)CC(C(=O)O)OC(C)C

InChI

InChI=1S/C23H23F3O4/c1-4-5-9-18-16(13-20(22(28)29)30-14(2)3)10-11-19(21(18)27)15-7-6-8-17(12-15)23(24,25)26/h6-8,10-12,14,20,27H,4,13H2,1-3H3,(H,28,29)