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

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

Systemtic Name:2-[2-[3-(3-nonylphenyl)pyrazin-2-yl]ethyl]pentanoate
Openeye Name:2-[2-[3-(3-nonylphenyl)pyrazin-2-yl]ethyl]pentanoate
CAS Name:2-[2-[3-(3-nonylphenyl)-2-pyrazinyl]ethyl]pentanoate
IUPAC Name:2-[2-[3-(3-nonylphenyl)pyrazin-2-yl]ethyl]pentanoate
Traditional Name:2-[2-[3-(3-nonylphenyl)pyrazin-2-yl]ethyl]valerate
Formula: C26H37N2O2-
MolecularWeight: 409.58418
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCCCC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)[O-]


InChI

InChI=1S/C26H38N2O2/c1-3-5-6-7-8-9-10-13-21-14-11-15-23(20-21)25-24(27-18-19-28-25)17-16-22(12-4-2)26(29)30/h11,14-15,18-20,22H,3-10,12-13,16-17H2,1-2H3,(H,29,30)/p-1


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