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ethyl 4-(4-cyanophenyl)-3-[3-[2-[2-[2-[3-[4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]propyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]propyl]-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
ethyl 4-(4-cyanophenyl)-3-[3-[2-[2-[2-[3-[4-(4-cyanophenyl)-5-ethoxycarbonyl-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidin-3-yl]propyl-methyl-amino]ethoxy]ethoxy]ethyl-methyl-amino]propyl]-6-methyl-2-oxidanylidene-1-[3-(trifluoromethyl)phenyl]-4H-pyrimidine-5-carboxylate
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Descriptors Computed from Structure
Canonical SMILES:
CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=C(C=C2)C#N)CCCN(C)CCOCCOCCN(C)CCCN3C(C(=C(N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C)C(=O)OCC)C5=CC=C(C=C5)C#N)C6=CC=CC(=C6)C(F)(F)F)C
Isomeric SMILES
CCOC(=O)C1=C(N(C(=O)N(C1C2=CC=C(C=C2)C#N)CCCN(C)CCOCCOCCN(C)CCCN3C(C(=C(N(C3=O)C4=CC=CC(=C4)C(F)(F)F)C)C(=O)OCC)C5=CC=C(C=C5)C#N)C6=CC=CC(=C6)C(F)(F)F)C
InChI
InChI=1S/C58H64F6N8O8/c1-7-79-53(73)49-39(3)71(47-15-9-13-45(35-47)57(59,60)61)55(75)69(51(49)43-21-17-41(37-65)18-22-43)27-11-25-67(5)29-31-77-33-34-78-32-30-68(6)26-12-28-70-52(44-23-19-42(38-66)20-24-44)50(54(74)80-8-2)40(4)72(56(70)76)48-16-10-14-46(36-48)58(62,63)64/h9-10,13-24,35-36,51-52H,7-8,11-12,25-34H2,1-6H3
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