1-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate

Systemtic Name: 1-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Openeye Name: [1-methyl-2-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]ethyl] butanoate CAS Name: butanoic acid 1-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C25H38N2O3 MolecularWeight: 414.58082

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C25H38N2O3/c1-4-6-7-8-9-10-17-29-24-14-11-13-23(19-24)27-16-15-26-22(20-27)18-21(3)30-25(28)12-5-2/h11,13-15,19-21H,4-10,12,16-18H2,1-3H3