[3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-butylbenzoate

Systemtic Name: [3-fluoranyl-4-(5-hexylpyrimidin-2-yl)phenyl] 4-butylbenzoate Openeye Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-butylbenzoate CAS Name: 4-butylbenzoic acid [3-fluoro-4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] 4-butylbenzoate Traditional Name: 4-butylbenzoic acid [3-fluoro-4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C27H31FN2O2 MolecularWeight: 434.545643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)CCCC)F

InChI

InChI=1S/C27H31FN2O2/c1-3-5-7-8-10-21-18-29-26(30-19-21)24-16-15-23(17-25(24)28)32-27(31)22-13-11-20(12-14-22)9-6-4-2/h11-19H,3-10H2,1-2H3