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

Systemtic Name: 1-[1-(3-heptylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Openeye Name: [2-[1-(3-heptylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[1-(3-heptylphenyl)-2H-pyrazin-5-yl]propan-2-yl ester IUPAC Name: 1-[1-(3-heptylphenyl)-2H-pyrazin-5-yl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[1-(3-heptylphenyl)-2H-pyrazin-5-yl]-1-methyl-ethyl] ester Formula: C25H38N2O2 MolecularWeight: 398.58142

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

Isomeric SMILES

CCCCCCCC1=CC(=CC=C1)N2CC=NC(=C2)CC(C)OC(=O)CCCC

InChI

InChI=1S/C25H38N2O2/c1-4-6-8-9-10-12-22-13-11-14-24(19-22)27-17-16-26-23(20-27)18-21(3)29-25(28)15-7-5-2/h11,13-14,16,19-21H,4-10,12,15,17-18H2,1-3H3