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

Systemtic Name: 5-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid Openeye Name: 5-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoic acid CAS Name: 5-[4-[5-pentyl-2-(2-pyrimidinyl)phenyl]phenyl]pentanoic acid IUPAC Name: 5-[4-(5-pentyl-2-pyrimidin-2-ylphenyl)phenyl]pentanoic acid Traditional Name: 5-[4-[5-amyl-2-(2-pyrimidyl)phenyl]phenyl]valeric acid Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O2/c1-2-3-4-9-21-13-16-23(26-27-17-7-18-28-26)24(19-21)22-14-11-20(12-15-22)8-5-6-10-25(29)30/h7,11-19H,2-6,8-10H2,1H3,(H,29,30)