(4-nonylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate

Systemtic Name: (4-nonylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoranyl-benzoate Openeye Name: (4-nonylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoate CAS Name: 4-(5-butyl-2-pyrimidinyl)-3-fluorobenzoic acid (4-nonylphenyl) ester IUPAC Name: (4-nonylphenyl) 4-(5-butylpyrimidin-2-yl)-3-fluorobenzoate Traditional Name: 4-(5-butylpyrimidin-2-yl)-3-fluoro-benzoic acid (4-nonylphenyl) ester Formula: C30H37FN2O2 MolecularWeight: 476.625383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

Isomeric SMILES

CCCCCCCCCC1=CC=C(C=C1)OC(=O)C2=CC(=C(C=C2)C3=NC=C(C=N3)CCCC)F

InChI

InChI=1S/C30H37FN2O2/c1-3-5-7-8-9-10-11-13-23-14-17-26(18-15-23)35-30(34)25-16-19-27(28(31)20-25)29-32-21-24(22-33-29)12-6-4-2/h14-22H,3-13H2,1-2H3