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

Systemtic Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexoxy-benzoate Openeye Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxy-benzoate CAS Name: 3-bromo-4-hexoxybenzoic acid [4-(5-hexyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrimidin-2-yl)phenyl] 3-bromo-4-hexoxybenzoate Traditional Name: 3-bromo-4-hexoxy-benzoic acid [4-(5-hexylpyrimidin-2-yl)phenyl] ester Formula: C29H35BrN2O3 MolecularWeight: 539.5038

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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)OCCCCCC)Br

Isomeric SMILES

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

InChI

InChI=1S/C29H35BrN2O3/c1-3-5-7-9-11-22-20-31-28(32-21-22)23-12-15-25(16-13-23)35-29(33)24-14-17-27(26(30)19-24)34-18-10-8-6-4-2/h12-17,19-21H,3-11,18H2,1-2H3