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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] nonanoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] nonanoate CAS Name: nonanoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] nonanoate Traditional Name: pelargonic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C24H34N2O3 MolecularWeight: 398.53836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H34N2O3/c1-4-6-7-8-9-10-11-24(27)29-23-17-25-22(16-26-23)20-12-14-21(15-13-20)28-18-19(3)5-2/h12-17,19H,4-11,18H2,1-3H3