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

Systemtic Name: [4-(5-octylpyrazin-2-yl)phenyl] 3-bromanyl-2-methyl-pentanoate Openeye Name: [4-(5-octylpyrazin-2-yl)phenyl] 3-bromo-2-methyl-pentanoate CAS Name: 3-bromo-2-methylpentanoic acid [4-(5-octyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrazin-2-yl)phenyl] 3-bromo-2-methylpentanoate Traditional Name: 3-bromo-2-methyl-valeric acid [4-(5-octylpyrazin-2-yl)phenyl] ester Formula: C24H33BrN2O2 MolecularWeight: 461.43502

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

Isomeric SMILES

CCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

InChI

InChI=1S/C24H33BrN2O2/c1-4-6-7-8-9-10-11-20-16-27-23(17-26-20)19-12-14-21(15-13-19)29-24(28)18(3)22(25)5-2/h12-18,22H,4-11H2,1-3H3