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2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]pentanoic acid

2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]pentanoic acid

Systemtic Name:2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]pentanoic acid
Openeye Name:2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]pentanoic acid
CAS Name:2-[2-[3-(3-octoxyphenyl)-2-pyrazinyl]ethyl]pentanoic acid
IUPAC Name:2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]pentanoic acid
Traditional Name:2-[2-[3-(3-octoxyphenyl)pyrazin-2-yl]ethyl]valeric acid
Formula: C25H36N2O3
MolecularWeight: 412.56494
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)O


Isomeric SMILES

CCCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2CCC(CCC)C(=O)O


InChI

InChI=1S/C25H36N2O3/c1-3-5-6-7-8-9-18-30-22-13-10-12-21(19-22)24-23(26-16-17-27-24)15-14-20(11-4-2)25(28)29/h10,12-13,16-17,19-20H,3-9,11,14-15,18H2,1-2H3,(H,28,29)


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