[4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexyl-benzoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromanyl-4-hexyl-benzoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-hexyl-benzoate CAS Name: 3-bromo-4-hexylbenzoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 3-bromo-4-hexylbenzoate Traditional Name: 3-bromo-4-hexyl-benzoic acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C30H37BrN2O2 MolecularWeight: 537.53098

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Br

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3)CCCCCC)Br

InChI

InChI=1S/C30H37BrN2O2/c1-3-5-7-9-10-12-23-21-32-29(33-22-23)25-16-18-27(19-17-25)35-30(34)26-15-14-24(28(31)20-26)13-11-8-6-4-2/h14-22H,3-13H2,1-2H3