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

Systemtic Name: [4-(5-nonylpyrazin-2-yl)phenyl] 3-bromanyl-2-methyl-pentanoate Openeye Name: [4-(5-nonylpyrazin-2-yl)phenyl] 3-bromo-2-methyl-pentanoate CAS Name: 3-bromo-2-methylpentanoic acid [4-(5-nonyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrazin-2-yl)phenyl] 3-bromo-2-methylpentanoate Traditional Name: 3-bromo-2-methyl-valeric acid [4-(5-nonylpyrazin-2-yl)phenyl] ester Formula: C25H35BrN2O2 MolecularWeight: 475.4616

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

Isomeric SMILES

CCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

InChI

InChI=1S/C25H35BrN2O2/c1-4-6-7-8-9-10-11-12-21-17-28-24(18-27-21)20-13-15-22(16-14-20)30-25(29)19(3)23(26)5-2/h13-19,23H,4-12H2,1-3H3