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

Systemtic Name: [1,1,1-tris(fluoranyl)-3-methoxy-propan-2-yl] 2-(4-nonylphenyl)pyrimidine-5-carboxylate Openeye Name: [2,2,2-trifluoro-1-(methoxymethyl)ethyl] 2-(4-nonylphenyl)pyrimidine-5-carboxylate CAS Name: 2-(4-nonylphenyl)-5-pyrimidinecarboxylic acid (1,1,1-trifluoro-3-methoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-methoxypropan-2-yl) 2-(4-nonylphenyl)pyrimidine-5-carboxylate Traditional Name: 2-(4-nonylphenyl)pyrimidine-5-carboxylic acid [2,2,2-trifluoro-1-(methoxymethyl)ethyl] ester Formula: C24H31F3N2O3 MolecularWeight: 452.50975

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C(=O)OC(COC)C(F)(F)F

InChI

InChI=1S/C24H31F3N2O3/c1-3-4-5-6-7-8-9-10-18-11-13-19(14-12-18)22-28-15-20(16-29-22)23(30)32-21(17-31-2)24(25,26)27/h11-16,21H,3-10,17H2,1-2H3