(2-fluorophenyl) 2-octyl-3-oxidanylidene-2-[4-(5-undecylpyrimidin-2-yl)phenyl]-1H-indene-5-carboxylate

Systemtic Name: (2-fluorophenyl) 2-octyl-3-oxidanylidene-2-[4-(5-undecylpyrimidin-2-yl)phenyl]-1H-indene-5-carboxylate Openeye Name: (2-fluorophenyl) 2-octyl-3-oxo-2-[4-(5-undecylpyrimidin-2-yl)phenyl]indane-5-carboxylate CAS Name: 2-octyl-3-oxo-2-[4-(5-undecyl-2-pyrimidinyl)phenyl]-1H-indene-5-carboxylic acid (2-fluorophenyl) ester IUPAC Name: (2-fluorophenyl) 2-octyl-3-oxo-2-[4-(5-undecylpyrimidin-2-yl)phenyl]-1H-indene-5-carboxylate Traditional Name: 3-keto-2-octyl-2-[4-(5-undecylpyrimidin-2-yl)phenyl]indane-5-carboxylic acid (2-fluorophenyl) ester Formula: C45H55FN2O3 MolecularWeight: 690.928203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(CC4=C(C3=O)C=C(C=C4)C(=O)OC5=CC=CC=C5F)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3(CC4=C(C3=O)C=C(C=C4)C(=O)OC5=CC=CC=C5F)CCCCCCCC

InChI

InChI=1S/C45H55FN2O3/c1-3-5-7-9-11-12-13-14-16-20-34-32-47-43(48-33-34)35-25-27-38(28-26-35)45(29-19-15-10-8-6-4-2)31-37-24-23-36(30-39(37)42(45)49)44(50)51-41-22-18-17-21-40(41)46/h17-18,21-28,30,32-33H,3-16,19-20,29,31H2,1-2H3