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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-octoxy-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-octoxy-benzoate CAS Name: 3-bromo-4-octoxybenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-octoxybenzoate Traditional Name: 3-bromo-4-octoxy-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C31H39BrN2O3 MolecularWeight: 567.55696

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=C(C=C2)C3=NC=C(C=N3)CCCCCC)Br

InChI

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