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

Systemtic Name: 1-[1-(3-butylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [2-[1-(3-butylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic 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 pentanoate Traditional Name: valeric acid [2-[1-(3-butylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C22H32N2O2 MolecularWeight: 356.50168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H32N2O2/c1-4-6-9-19-10-8-11-21(16-19)24-14-13-23-20(17-24)15-18(3)26-22(25)12-7-5-2/h8,10-11,13,16-18H,4-7,9,12,14-15H2,1-3H3