3-[4-[(E)-5-[2,3-bis(trifluoromethyloxy)phenyl]-3-methyl-pent-2-en-4-ynoxy]-3-bromanyl-phenyl]-2-ethoxy-propanoic acid

Systemtic Name: 3-[4-[(E)-5-[2,3-bis(trifluoromethyloxy)phenyl]-3-methyl-pent-2-en-4-ynoxy]-3-bromanyl-phenyl]-2-ethoxy-propanoic acid Openeye Name: 3-[4-[(E)-5-[2,3-bis(trifluoromethoxy)phenyl]-3-methyl-pent-2-en-4-ynoxy]-3-bromo-phenyl]-2-ethoxy-propanoic acid CAS Name: 3-[4-[(E)-5-[2,3-bis(trifluoromethoxy)phenyl]-3-methylpent-2-en-4-ynoxy]-3-bromophenyl]-2-ethoxypropanoic acid IUPAC Name: 3-[4-[(E)-5-[2,3-bis(trifluoromethoxy)phenyl]-3-methylpent-2-en-4-ynoxy]-3-bromophenyl]-2-ethoxypropanoic acid Traditional Name: 3-[4-[(E)-5-[2,3-bis(trifluoromethoxy)phenyl]-3-methyl-pent-2-en-4-ynoxy]-3-bromo-phenyl]-2-ethoxy-propionic acid Formula: C25H21BrF6O6 MolecularWeight: 611.325059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC1=CC(=C(C=C1)OCC=C(C)C#CC2=C(C(=CC=C2)OC(F)(F)F)OC(F)(F)F)Br)C(=O)O

Isomeric SMILES

CCOC(CC1=CC(=C(C=C1)OC/C=C(\C)/C#CC2=C(C(=CC=C2)OC(F)(F)F)OC(F)(F)F)Br)C(=O)O

InChI

InChI=1S/C25H21BrF6O6/c1-3-35-21(23(33)34)14-16-8-10-19(18(26)13-16)36-12-11-15(2)7-9-17-5-4-6-20(37-24(27,28)29)22(17)38-25(30,31)32/h4-6,8,10-11,13,21H,3,12,14H2,1-2H3,(H,33,34)/b15-11+