1-[1-(3-butylphenyl)-2H-pyrazin-5-yl]propan-2-yl ethanoate

Systemtic Name: 1-[1-(3-butylphenyl)-2H-pyrazin-5-yl]propan-2-yl ethanoate Openeye Name: [2-[1-(3-butylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] acetate CAS Name: acetic acid 1-[1-(3-butylphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-butylphenyl)-2H-pyrazin-5-yl]propan-2-yl acetate Traditional Name: acetic acid [2-[1-(3-butylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C19H26N2O2 MolecularWeight: 314.42194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)C

Isomeric SMILES

CCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)C

InChI

InChI=1S/C19H26N2O2/c1-4-5-7-17-8-6-9-19(13-17)21-11-10-20-18(14-21)12-15(2)23-16(3)22/h6,8-10,13-15H,4-5,7,11-12H2,1-3H3