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

Systemtic Name: [4-(5-decylpyrazin-2-yl)phenyl] 3-bromanyl-2-methyl-pentanoate Openeye Name: [4-(5-decylpyrazin-2-yl)phenyl] 3-bromo-2-methyl-pentanoate CAS Name: 3-bromo-2-methylpentanoic acid [4-(5-decyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrazin-2-yl)phenyl] 3-bromo-2-methylpentanoate Traditional Name: 3-bromo-2-methyl-valeric acid [4-(5-decylpyrazin-2-yl)phenyl] ester Formula: C26H37BrN2O2 MolecularWeight: 489.48818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

Isomeric SMILES

CCCCCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C)C(CC)Br

InChI

InChI=1S/C26H37BrN2O2/c1-4-6-7-8-9-10-11-12-13-22-18-29-25(19-28-22)21-14-16-23(17-15-21)31-26(30)20(3)24(27)5-2/h14-20,24H,4-13H2,1-3H3