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

Systemtic Name: [4-(5-hexylpyrazin-2-yl)phenyl] 3-bromanyl-2-methyl-pentanoate Openeye Name: [4-(5-hexylpyrazin-2-yl)phenyl] 3-bromo-2-methyl-pentanoate CAS Name: 3-bromo-2-methylpentanoic acid [4-(5-hexyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-hexylpyrazin-2-yl)phenyl] 3-bromo-2-methylpentanoate Traditional Name: 3-bromo-2-methyl-valeric acid [4-(5-hexylpyrazin-2-yl)phenyl] ester Formula: C22H29BrN2O2 MolecularWeight: 433.38186

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

Isomeric SMILES

CCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

InChI

InChI=1S/C22H29BrN2O2/c1-4-6-7-8-9-18-14-25-21(15-24-18)17-10-12-19(13-11-17)27-22(26)16(3)20(23)5-2/h10-16,20H,4-9H2,1-3H3