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

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-(1-methylheptoxy)benzoate CAS Name: 3-bromo-4-octan-2-yloxybenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-octan-2-yloxybenzoate Traditional Name: 3-bromo-4-(1-methylheptoxy)benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C32H41BrN2O3 MolecularWeight: 581.58354

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

InChI

InChI=1S/C32H41BrN2O3/c1-4-6-8-10-12-14-25-22-34-31(35-23-25)26-15-18-28(19-16-26)38-32(36)27-17-20-30(29(33)21-27)37-24(3)13-11-9-7-5-2/h15-24H,4-14H2,1-3H3