1-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate

Systemtic Name: 1-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [2-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[1-(3-hexoxyphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C24H36N2O3 MolecularWeight: 400.55424

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C24H36N2O3/c1-4-6-8-9-16-28-23-12-10-11-22(18-23)26-15-14-25-21(19-26)17-20(3)29-24(27)13-7-5-2/h10-12,14,18-20H,4-9,13,15-17H2,1-3H3