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2-hydroxyethyl 4-(4-cyanophenyl)-3-[12-[12-[4-(4-cyanophenyl)-5-(2-hydroxyethyloxycarbonyl)-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]dodecyl-ethyl-amino]dodecyl]-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
2-hydroxyethyl 4-(4-cyanophenyl)-3-[12-[12-[4-(4-cyanophenyl)-5-(2-hydroxyethyloxycarbonyl)-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]dodecyl-ethyl-amino]dodecyl]-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CCCCCCCCCCCCN1C(C(=C(N(C1=O)C2=CC=CC(=C2)C(F)(F)F)C)C(=O)OCCO)C3=CC=C(C=C3)C#N)CCCCCCCCCCCCN4C(C(=C(N(C4=O)C5=CC=CC(=C5)C(F)(F)F)C)C(=O)OCCO)C6=CC=C(C=C6)C#N
Isomeric SMILES
CCN(CCCCCCCCCCCCN1C(C(=C(N(C1=O)C2=CC=CC(=C2)C(F)(F)F)C)C(=O)OCCO)C3=CC=C(C=C3)C#N)CCCCCCCCCCCCN4C(C(=C(N(C4=O)C5=CC=CC(=C5)C(F)(F)F)C)C(=O)OCCO)C6=CC=C(C=C6)C#N
InChI
InChI=1S/C70H87F6N7O8/c1-4-79(39-21-17-13-9-5-7-11-15-19-23-41-80-63(55-35-31-53(49-77)32-36-55)61(65(86)90-45-43-84)51(2)82(67(80)88)59-29-25-27-57(47-59)69(71,72)73)40-22-18-14-10-6-8-12-16-20-24-42-81-64(56-37-33-54(50-78)34-38-56)62(66(87)91-46-44-85)52(3)83(68(81)89)60-30-26-28-58(48-60)70(74,75)76/h25-38,47-48,63-64,84-85H,4-24,39-46H2,1-3H3
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