[4-(5-heptylpyrimidin-2-yl)phenyl] 2-bromanyl-3-methyl-pentanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-bromanyl-3-methyl-pentanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-bromo-3-methyl-pentanoate CAS Name: 2-bromo-3-methylpentanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-bromo-3-methylpentanoate Traditional Name: 2-bromo-3-methyl-valeric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C23H31BrN2O2 MolecularWeight: 447.40844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H31BrN2O2/c1-4-6-7-8-9-10-18-15-25-22(26-16-18)19-11-13-20(14-12-19)28-23(27)21(24)17(3)5-2/h11-17,21H,4-10H2,1-3H3