[4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octyl-benzoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octyl-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-octyl-benzoate CAS Name: 3-bromo-4-octylbenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-octylbenzoate Traditional Name: 3-bromo-4-octyl-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C33H43BrN2O2 MolecularWeight: 579.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)Br

Isomeric SMILES

CCCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCCC)Br

InChI

InChI=1S/C33H43BrN2O2/c1-3-5-7-9-11-13-15-26-24-35-32(36-25-26)28-19-21-30(22-20-28)38-33(37)29-18-17-27(31(34)23-29)16-14-12-10-8-6-4-2/h17-25H,3-16H2,1-2H3