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

Systemtic Name: 1-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]propan-2-yl propanoate Openeye Name: [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] propanoate CAS Name: propanoic 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 propanoate Traditional Name: propionic acid [1-methyl-2-[1-(3-nonylphenyl)-2H-pyrazin-5-yl]ethyl] ester Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H38N2O2/c1-4-6-7-8-9-10-11-13-22-14-12-15-24(19-22)27-17-16-26-23(20-27)18-21(3)29-25(28)5-2/h12,14-16,19-21H,4-11,13,17-18H2,1-3H3