[3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-heptoxyphenyl)-5-pyrimidinecarboxylic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 2-(4-heptoxyphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-heptoxyphenyl)pyrimidine-5-carboxylic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C25H33F3N2O4 MolecularWeight: 482.53573

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C25H33F3N2O4/c1-3-5-7-8-9-15-33-21-12-10-19(11-13-21)23-29-16-20(17-30-23)24(31)34-22(25(26,27)28)18-32-14-6-4-2/h10-13,16-17,22H,3-9,14-15,18H2,1-2H3