1-[5-(4-octoxyphenyl)pyrazin-2-yl]oxypropan-2-yl butanoate

Systemtic Name: 1-[5-(4-octoxyphenyl)pyrazin-2-yl]oxypropan-2-yl butanoate Openeye Name: [1-methyl-2-[5-(4-octoxyphenyl)pyrazin-2-yl]oxy-ethyl] butanoate CAS Name: butanoic acid 1-[[5-(4-octoxyphenyl)-2-pyrazinyl]oxy]propan-2-yl ester IUPAC Name: 1-[5-(4-octoxyphenyl)pyrazin-2-yl]oxypropan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[5-(4-octoxyphenyl)pyrazin-2-yl]oxy-ethyl] ester Formula: C25H36N2O4 MolecularWeight: 428.56434

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OCC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CN=C(C=N2)OCC(C)OC(=O)CCC

InChI

InChI=1S/C25H36N2O4/c1-4-6-7-8-9-10-16-29-22-14-12-21(13-15-22)23-17-27-24(18-26-23)30-19-20(3)31-25(28)11-5-2/h12-15,17-18,20H,4-11,16,19H2,1-3H3