[4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptyl-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-heptyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-heptyl-benzoate CAS Name: 3-bromo-4-heptylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-heptylbenzoate Traditional Name: 3-bromo-4-heptyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C31H39BrN2O2 MolecularWeight: 551.55756

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Br

Isomeric SMILES

CCCCCCCC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCCC)Br

InChI

InChI=1S/C31H39BrN2O2/c1-3-5-7-9-11-13-24-22-33-30(34-23-24)26-17-19-28(20-18-26)36-31(35)27-16-15-25(29(32)21-27)14-12-10-8-6-4-2/h15-23H,3-14H2,1-2H3