(2E,4E)-7-[4-(1-adamantyl)-3-pentoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate

Systemtic Name: (2E,4E)-7-[4-(1-adamantyl)-3-pentoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate Openeye Name: (2E,4E)-7-[4-(1-adamantyl)-3-pentoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate CAS Name: (2E,4E)-7-[4-(1-adamantyl)-3-pentoxyphenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate IUPAC Name: (2E,4E)-7-[4-(1-adamantyl)-3-pentoxyphenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate Traditional Name: (2E,4E)-7-[4-(1-adamantyl)-3-amoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoate Formula: C35H40F3O3- MolecularWeight: 565.68551

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=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

CCCCCOC1=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/C35H41F3O3/c1-2-3-4-15-41-32-19-24(11-13-31(32)34-21-25-16-26(22-34)18-27(17-25)23-34)7-5-8-28(12-14-33(39)40)29-9-6-10-30(20-29)35(36,37)38/h6,8-14,19-20,25-27H,2-5,7,15-18,21-23H2,1H3,(H,39,40)/p-1/b14-12+,28-8+