(2E,4E)-7-[4-(1-adamantyl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid

Systemtic Name: (2E,4E)-7-[4-(1-adamantyl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Openeye Name: (2E,4E)-7-[4-(1-adamantyl)-3-(2-tert-butoxy-2-oxo-ethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid CAS Name: (2E,4E)-7-[4-(1-adamantyl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid IUPAC Name: (2E,4E)-7-[4-(1-adamantyl)-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Traditional Name: (2E,4E)-7-[4-(1-adamantyl)-3-(2-tert-butoxy-2-keto-ethoxy)phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Formula: C36H41F3O5 MolecularWeight: 610.70295

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)COC1=C(C=CC(=C1)CCC=C(C=CC(=O)O)C2=CC(=CC=C2)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C)(C)OC(=O)COC1=C(C=CC(=C1)CC/C=C(\C=C\C(=O)O)/C2=CC(=CC=C2)C(F)(F)F)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C36H41F3O5/c1-34(2,3)44-33(42)22-43-31-17-23(10-12-30(31)35-19-24-14-25(20-35)16-26(15-24)21-35)6-4-7-27(11-13-32(40)41)28-8-5-9-29(18-28)36(37,38)39/h5,7-13,17-18,24-26H,4,6,14-16,19-22H2,1-3H3,(H,40,41)/b13-11+,27-7+