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

Systemtic Name: 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Openeye Name: [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] butanoate CAS Name: butanoic acid 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl butanoate Traditional Name: butyric acid [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C26H40N2O2 MolecularWeight: 412.608

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

Isomeric SMILES

CCCCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCC

InChI

InChI=1S/C26H40N2O2/c1-4-6-7-8-9-10-11-14-23-15-12-16-25(20-23)28-18-17-27-24(21-28)19-22(3)30-26(29)13-5-2/h12,15-17,20-22H,4-11,13-14,18-19H2,1-3H3