[2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-nonoxy-benzoate

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoranyl-4-nonoxy-benzoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-nonoxy-benzoate CAS Name: 2-fluoro-4-nonoxybenzoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] 2-fluoro-4-nonoxybenzoate Traditional Name: 2-fluoro-4-nonoxy-benzoic acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C33H43FN2O3 MolecularWeight: 534.704523

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCCOC1=CC(=C(C=C1)C(=O)OC2=CN=C(N=C2)C3=CC=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C33H43FN2O3/c1-3-5-7-9-10-12-14-22-38-28-20-21-30(31(34)23-28)33(37)39-29-24-35-32(36-25-29)27-18-16-26(17-19-27)15-13-11-8-6-4-2/h16-21,23-25H,3-15,22H2,1-2H3