4-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid

Systemtic Name: 4-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid Openeye Name: 4-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoic acid CAS Name: 4-[4-[5-pentyl-2-(2-pyrimidinyl)phenyl]phenyl]butanoic acid IUPAC Name: 4-[4-(5-pentyl-2-pyrimidin-2-ylphenyl)phenyl]butanoic acid Traditional Name: 4-[4-[5-amyl-2-(2-pyrimidyl)phenyl]phenyl]butyric acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)O

InChI

InChI=1S/C25H28N2O2/c1-2-3-4-7-20-12-15-22(25-26-16-6-17-27-25)23(18-20)21-13-10-19(11-14-21)8-5-9-24(28)29/h6,10-18H,2-5,7-9H2,1H3,(H,28,29)