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

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C31H39BrN2O3 MolecularWeight: 567.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)Br

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OCCCCCC)Br

InChI

InChI=1S/C31H39BrN2O3/c1-3-5-7-9-10-11-13-24-22-33-30(34-23-24)25-14-17-27(18-15-25)37-31(35)26-16-19-29(28(32)21-26)36-20-12-8-6-4-2/h14-19,21-23H,3-13,20H2,1-2H3