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2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]pentanoate

2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]pentanoate

Systemtic Name:2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]pentanoate
Openeye Name:2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]pentanoate
CAS Name:2-[2-[3-(3-octylphenyl)-2-pyrazinyl]ethyl]pentanoate
IUPAC Name:2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]pentanoate
Traditional Name:2-[2-[3-(3-octylphenyl)pyrazin-2-yl]ethyl]valerate
Formula: C25H35N2O2-
MolecularWeight: 395.5576
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]


InChI

InChI=1S/C25H36N2O2/c1-3-5-6-7-8-9-12-20-13-10-14-22(19-20)24-23(26-17-18-27-24)16-15-21(11-4-2)25(28)29/h10,13-14,17-19,21H,3-9,11-12,15-16H2,1-2H3,(H,28,29)/p-1


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