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

Systemtic Name: 1-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [1-methyl-2-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]ethyl] pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [1-methyl-2-[1-(3-octoxyphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C26H40N2O3 MolecularWeight: 428.6074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40N2O3/c1-4-6-8-9-10-11-18-30-25-14-12-13-24(20-25)28-17-16-27-23(21-28)19-22(3)31-26(29)15-7-5-2/h12-14,16,20-22H,4-11,15,17-19H2,1-3H3