(2E,4Z)-7-[4-(1-adamantyl)-3-[[3,5-bis(fluoranyl)phenyl]methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid

Systemtic Name: (2E,4Z)-7-[4-(1-adamantyl)-3-[[3,5-bis(fluoranyl)phenyl]methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Openeye Name: (2E,4Z)-7-[4-(1-adamantyl)-3-[(3,5-difluorophenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid CAS Name: (2E,4Z)-7-[4-(1-adamantyl)-3-[(3,5-difluorophenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid IUPAC Name: (2E,4Z)-7-[4-(1-adamantyl)-3-[(3,5-difluorophenyl)methoxy]phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Traditional Name: (2E,4Z)-7-[4-(1-adamantyl)-3-(3,5-difluorobenzyl)oxy-phenyl]-4-[3-(trifluoromethyl)phenyl]hepta-2,4-dienoic acid Formula: C37H35F5O3 MolecularWeight: 622.664016

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CCC=C(C=CC(=O)O)C5=CC(=CC=C5)C(F)(F)F)OCC6=CC(=CC(=C6)F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)(C3)C4=C(C=C(C=C4)CC/C=C(/C=C/C(=O)O)\C5=CC(=CC=C5)C(F)(F)F)OCC6=CC(=CC(=C6)F)F

InChI

InChI=1S/C37H35F5O3/c38-31-14-27(15-32(39)18-31)22-45-34-16-23(7-9-33(34)36-19-24-11-25(20-36)13-26(12-24)21-36)3-1-4-28(8-10-35(43)44)29-5-2-6-30(17-29)37(40,41)42/h2,4-10,14-18,24-26H,1,3,11-13,19-22H2,(H,43,44)/b10-8+,28-4-