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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octan-2-yloxy-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-(1-methylheptoxy)benzoate CAS Name: 3-bromo-4-octan-2-yloxybenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-octan-2-yloxybenzoate Traditional Name: 3-bromo-4-(1-methylheptoxy)benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C31H39BrN2O3 MolecularWeight: 567.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)OC(C)CCCCCC)Br

InChI

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