[3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-nonylpyrimidin-2-yl)benzoate

Systemtic Name: [3-butoxy-1,1,1-tris(fluoranyl)propan-2-yl] 4-(5-nonylpyrimidin-2-yl)benzoate Openeye Name: [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] 4-(5-nonylpyrimidin-2-yl)benzoate CAS Name: 4-(5-nonyl-2-pyrimidinyl)benzoic acid (3-butoxy-1,1,1-trifluoropropan-2-yl) ester IUPAC Name: (3-butoxy-1,1,1-trifluoropropan-2-yl) 4-(5-nonylpyrimidin-2-yl)benzoate Traditional Name: 4-(5-nonylpyrimidin-2-yl)benzoic acid [1-(butoxymethyl)-2,2,2-trifluoro-ethyl] ester Formula: C27H37F3N2O3 MolecularWeight: 494.58949

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

Isomeric SMILES

CCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C(=O)OC(COCCCC)C(F)(F)F

InChI

InChI=1S/C27H37F3N2O3/c1-3-5-7-8-9-10-11-12-21-18-31-25(32-19-21)22-13-15-23(16-14-22)26(33)35-24(27(28,29)30)20-34-17-6-4-2/h13-16,18-19,24H,3-12,17,20H2,1-2H3