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

Systemtic Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate Openeye Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methylpentanoic acid [4-(5-nonyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-nonylpyrazin-2-yl)phenyl] 2-cyano-3-methylpentanoate Traditional Name: 2-cyano-3-methyl-valeric acid [4-(5-nonylpyrazin-2-yl)phenyl] ester Formula: C26H35N3O2 MolecularWeight: 421.575

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H35N3O2/c1-4-6-7-8-9-10-11-12-22-18-29-25(19-28-22)21-13-15-23(16-14-21)31-26(30)24(17-27)20(3)5-2/h13-16,18-20,24H,4-12H2,1-3H3