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

Systemtic Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate Openeye Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methylpentanoic acid [4-(5-heptyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrazin-2-yl)phenyl] 2-cyano-3-methylpentanoate Traditional Name: 2-cyano-3-methyl-valeric acid [4-(5-heptylpyrazin-2-yl)phenyl] ester Formula: C24H31N3O2 MolecularWeight: 393.52184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C#N)C(C)CC

Isomeric SMILES

CCCCCCCC1=NC=C(N=C1)C2=CC=C(C=C2)OC(=O)C(C#N)C(C)CC

InChI

InChI=1S/C24H31N3O2/c1-4-6-7-8-9-10-20-16-27-23(17-26-20)19-11-13-21(14-12-19)29-24(28)22(15-25)18(3)5-2/h11-14,16-18,22H,4-10H2,1-3H3