[4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexyl-benzoate

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexyl-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-hexyl-benzoate CAS Name: 3-bromo-4-hexylbenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-hexylbenzoate Traditional Name: 3-bromo-4-hexyl-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C29H35BrN2O2 MolecularWeight: 523.5044

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

Isomeric SMILES

CCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

InChI

InChI=1S/C29H35BrN2O2/c1-3-5-7-9-11-22-20-31-28(32-21-22)24-15-17-26(18-16-24)34-29(33)25-14-13-23(27(30)19-25)12-10-8-6-4-2/h13-21H,3-12H2,1-2H3