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5-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid

5-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid

Systemtic Name:5-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid
Openeye Name:5-[4-(5-decyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid
CAS Name:5-[4-[5-decyl-2-(2-pyrimidinyl)phenyl]phenyl]pentanoic acid
IUPAC Name:5-[4-(5-decyl-2-pyrimidin-2-ylphenyl)phenyl]pentanoic acid
Traditional Name:5-[4-[5-decyl-2-(2-pyrimidyl)phenyl]phenyl]valeric acid
Formula: C31H40N2O2
MolecularWeight: 472.6615
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCCC(=O)O


Isomeric SMILES

CCCCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCCC(=O)O


InChI

InChI=1S/C31H40N2O2/c1-2-3-4-5-6-7-8-9-14-26-18-21-28(31-32-22-12-23-33-31)29(24-26)27-19-16-25(17-20-27)13-10-11-15-30(34)35/h12,16-24H,2-11,13-15H2,1H3,(H,34,35)


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