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

Systemtic Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octyl-benzoate Openeye Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-octyl-benzoate CAS Name: 3-bromo-4-octylbenzoic acid [4-(5-decyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrimidin-2-yl)phenyl] 3-bromo-4-octylbenzoate Traditional Name: 3-bromo-4-octyl-benzoic acid [4-(5-decylpyrimidin-2-yl)phenyl] ester Formula: C35H47BrN2O2 MolecularWeight: 607.66388

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)Br

Isomeric SMILES

CCCCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCCCC)Br

InChI

InChI=1S/C35H47BrN2O2/c1-3-5-7-9-11-12-13-15-17-28-26-37-34(38-27-28)30-21-23-32(24-22-30)40-35(39)31-20-19-29(33(36)25-31)18-16-14-10-8-6-4-2/h19-27H,3-18H2,1-2H3