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

Systemtic Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] heptanoate Openeye Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] heptanoate CAS Name: heptanoic acid [5-[4-(2-methylbutoxy)phenyl]-2-pyrazinyl] ester IUPAC Name: [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] heptanoate Traditional Name: enanthic acid [5-[4-(2-methylbutoxy)phenyl]pyrazin-2-yl] ester Formula: C22H30N2O3 MolecularWeight: 370.4852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3/c1-4-6-7-8-9-22(25)27-21-15-23-20(14-24-21)18-10-12-19(13-11-18)26-16-17(3)5-2/h10-15,17H,4-9,16H2,1-3H3