(2E,4E)-7-[2-(1-adamantyl)-4-methoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid

Systemtic Name: (2E,4E)-7-[2-(1-adamantyl)-4-methoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Openeye Name: (2E,4E)-7-[2-(1-adamantyl)-4-methoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid CAS Name: (2E,4E)-7-[2-(1-adamantyl)-4-methoxyphenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid IUPAC Name: (2E,4E)-7-[2-(1-adamantyl)-4-methoxyphenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Traditional Name: (2E,4E)-7-[2-(1-adamantyl)-4-methoxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Formula: C31H33F3O3 MolecularWeight: 510.58713

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC1=CC(=C(C=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/C31H33F3O3/c1-37-27-10-8-24(28(16-27)30-17-20-12-21(18-30)14-22(13-20)19-30)5-2-4-23(9-11-29(35)36)25-6-3-7-26(15-25)31(32,33)34/h3-4,6-11,15-16,20-22H,2,5,12-14,17-19H2,1H3,(H,35,36)/b11-9+,23-4+