[1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl] 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate

Systemtic Name: [1,1,1-tris(fluoranyl)-3-oxidanylidene-3-propoxy-propan-2-yl] 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate Openeye Name: (2,2,2-trifluoro-1-propoxycarbonyl-ethyl) 4-[6-(4-hexylphenyl)-3-pyridyl]benzoate CAS Name: 4-[6-(4-hexylphenyl)-3-pyridinyl]benzoic acid (1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl) ester IUPAC Name: (1,1,1-trifluoro-3-oxo-3-propoxypropan-2-yl) 4-[6-(4-hexylphenyl)pyridin-3-yl]benzoate Traditional Name: 4-[6-(4-hexylphenyl)-3-pyridyl]benzoic acid (2,2,2-trifluoro-1-propoxycarbonyl-ethyl) ester Formula: C30H32F3NO4 MolecularWeight: 527.57459

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C(=O)OCCC)C(F)(F)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=NC=C(C=C2)C3=CC=C(C=C3)C(=O)OC(C(=O)OCCC)C(F)(F)F

InChI

InChI=1S/C30H32F3NO4/c1-3-5-6-7-8-21-9-11-23(12-10-21)26-18-17-25(20-34-26)22-13-15-24(16-14-22)28(35)38-27(30(31,32)33)29(36)37-19-4-2/h9-18,20,27H,3-8,19H2,1-2H3