[4-(5-pentylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate

Systemtic Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate Openeye Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methylpentanoic acid [4-(5-pentyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-pentylpyrazin-2-yl)phenyl] 2-cyano-3-methylpentanoate Traditional Name: 2-cyano-3-methyl-valeric acid [4-(5-amylpyrazin-2-yl)phenyl] ester Formula: C22H27N3O2 MolecularWeight: 365.46868

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C#N)C(C)CC

Isomeric SMILES

CCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C#N)C(C)CC

InChI

InChI=1S/C22H27N3O2/c1-4-6-7-8-18-14-25-21(15-24-18)17-9-11-19(12-10-17)27-22(26)20(13-23)16(3)5-2/h9-12,14-16,20H,4-8H2,1-3H3