[5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] decanoate

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] decanoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] decanoate CAS Name: decanoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] decanoate Traditional Name: capric acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(=O)OC1=NC=C(N=C1)C2=CC=C(C=C2)OCC(C)CC

Isomeric SMILES

CCCCCCCCCC(=O)OC1=NC=C(N=C1)C2=CC=C(C=C2)OCC(C)CC

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-11-12-25(28)30-24-18-26-23(17-27-24)21-13-15-22(16-14-21)29-19-20(3)5-2/h13-18,20H,4-12,19H2,1-3H3