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9-[2-(4-octoxyphenyl)pyrimidin-5-yl]nonanoic acid

9-[2-(4-octoxyphenyl)pyrimidin-5-yl]nonanoic acid

Systemtic Name:9-[2-(4-octoxyphenyl)pyrimidin-5-yl]nonanoic acid
Openeye Name:9-[2-(4-octoxyphenyl)pyrimidin-5-yl]nonanoic acid
CAS Name:9-[2-(4-octoxyphenyl)-5-pyrimidinyl]nonanoic acid
IUPAC Name:9-[2-(4-octoxyphenyl)pyrimidin-5-yl]nonanoic acid
Traditional Name:9-[2-(4-octoxyphenyl)pyrimidin-5-yl]pelargonic acid
Formula: C27H40N2O3
MolecularWeight: 440.6181
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCC(=O)O


Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)CCCCCCCCC(=O)O


InChI

InChI=1S/C27H40N2O3/c1-2-3-4-5-10-13-20-32-25-18-16-24(17-19-25)27-28-21-23(22-29-27)14-11-8-6-7-9-12-15-26(30)31/h16-19,21-22H,2-15,20H2,1H3,(H,30,31)


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