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

Systemtic Name: [4-(5-octylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate Openeye Name: [4-(5-octylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methylpentanoic acid [4-(5-octyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrazin-2-yl)phenyl] 2-cyano-3-methylpentanoate Traditional Name: 2-cyano-3-methyl-valeric acid [4-(5-octylpyrazin-2-yl)phenyl] ester Formula: C25H33N3O2 MolecularWeight: 407.54842

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H33N3O2/c1-4-6-7-8-9-10-11-21-17-28-24(18-27-21)20-12-14-22(15-13-20)30-25(29)23(16-26)19(3)5-2/h12-15,17-19,23H,4-11H2,1-3H3