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4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate

4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate

Systemtic Name:4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate
Openeye Name:4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propyl-pentanoate
CAS Name:4-[3-(3-heptoxyphenyl)-2-pyrazinyl]-2-propylpentanoate
IUPAC Name:4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propylpentanoate
Traditional Name:4-[3-(3-heptoxyphenyl)pyrazin-2-yl]-2-propyl-valerate
Formula: C25H35N2O3-
MolecularWeight: 411.557
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]


Isomeric SMILES

CCCCCCCOC1=CC=CC(=C1)C2=NC=CN=C2C(C)CC(CCC)C(=O)[O-]


InChI

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


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