[1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 3-fluoranyloctanoate

Systemtic Name: [1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 3-fluoranyloctanoate Openeye Name: [1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] 3-fluorooctanoate CAS Name: 3-fluorooctanoic acid [1-(5-octyl-2-pyrimidinyl)-4-phenyl-1-cyclohexa-2,5-dienyl] ester IUPAC Name: [1-(5-octylpyrimidin-2-yl)-4-phenylcyclohexa-2,5-dien-1-yl] 3-fluorooctanoate Traditional Name: 3-fluorocaprylic acid [1-(5-octylpyrimidin-2-yl)-4-phenyl-cyclohexa-2,5-dien-1-yl] ester Formula: C32H43FN2O2 MolecularWeight: 506.694423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)CC(CCCCC)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2(C=CC(C=C2)C3=CC=CC=C3)OC(=O)CC(CCCCC)F

InChI

InChI=1S/C32H43FN2O2/c1-3-5-7-8-9-12-15-26-24-34-31(35-25-26)32(37-30(36)23-29(33)18-11-6-4-2)21-19-28(20-22-32)27-16-13-10-14-17-27/h10,13-14,16-17,19-22,24-25,28-29H,3-9,11-12,15,18,23H2,1-2H3