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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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