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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] hexanoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] hexanoate CAS Name: hexanoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] hexanoate Traditional Name: hexanoic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C21H28N2O3 MolecularWeight: 356.45862

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O3/c1-4-6-7-8-21(24)26-20-14-22-19(13-23-20)17-9-11-18(12-10-17)25-15-16(3)5-2/h9-14,16H,4-8,15H2,1-3H3