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

Systemtic Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate Openeye Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-cyano-3-methyl-pentanoate CAS Name: 2-cyano-3-methylpentanoic acid [4-(5-decyl-2-pyrazinyl)phenyl] ester IUPAC Name: [4-(5-decylpyrazin-2-yl)phenyl] 2-cyano-3-methylpentanoate Traditional Name: 2-cyano-3-methyl-valeric acid [4-(5-decylpyrazin-2-yl)phenyl] ester Formula: C27H37N3O2 MolecularWeight: 435.60158

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H37N3O2/c1-4-6-7-8-9-10-11-12-13-23-19-30-26(20-29-23)22-14-16-24(17-15-22)32-27(31)25(18-28)21(3)5-2/h14-17,19-21,25H,4-13H2,1-3H3