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[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-propoxy-butan-2-yl] 5-(4-octoxyphenyl)pyrimidine-4-carboxylate

[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-propoxy-butan-2-yl] 5-(4-octoxyphenyl)pyrimidine-4-carboxylate

Systemtic Name:[1,1,1-tris(fluoranyl)-4-oxidanylidene-4-propoxy-butan-2-yl] 5-(4-octoxyphenyl)pyrimidine-4-carboxylate
Openeye Name:[3-oxo-3-propoxy-1-(trifluoromethyl)propyl] 5-(4-octoxyphenyl)pyrimidine-4-carboxylate
CAS Name:5-(4-octoxyphenyl)-4-pyrimidinecarboxylic acid (1,1,1-trifluoro-4-oxo-4-propoxybutan-2-yl) ester
IUPAC Name:(1,1,1-trifluoro-4-oxo-4-propoxybutan-2-yl) 5-(4-octoxyphenyl)pyrimidine-4-carboxylate
Traditional Name:5-(4-octoxyphenyl)pyrimidine-4-carboxylic acid [3-keto-3-propoxy-1-(trifluoromethyl)propyl] ester
Formula: C26H33F3N2O5
MolecularWeight: 510.54583
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=CN=C2C(=O)OC(CC(=O)OCCC)C(F)(F)F


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=CN=C2C(=O)OC(CC(=O)OCCC)C(F)(F)F


InChI

InChI=1S/C26H33F3N2O5/c1-3-5-6-7-8-9-15-34-20-12-10-19(11-13-20)21-17-30-18-31-24(21)25(33)36-22(26(27,28)29)16-23(32)35-14-4-2/h10-13,17-18,22H,3-9,14-16H2,1-2H3


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