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

Systemtic Name: 1-[1-(3-hexylphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Openeye Name: [2-[1-(3-hexylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] butanoate CAS Name: butanoic acid 1-[1-(3-hexylphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-hexylphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Traditional Name: butyric acid [2-[1-(3-hexylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C23H34N2O2 MolecularWeight: 370.52826

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C23H34N2O2/c1-4-6-7-8-11-20-12-9-13-22(17-20)25-15-14-24-21(18-25)16-19(3)27-23(26)10-5-2/h9,12-14,17-19H,4-8,10-11,15-16H2,1-3H3