6-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoic acid

Systemtic Name: 6-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoic acid Openeye Name: 6-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoic acid CAS Name: 6-[4-[5-pentyl-2-(2-pyrimidinyl)phenyl]phenyl]hexanoic acid IUPAC Name: 6-[4-(5-pentyl-2-pyrimidin-2-ylphenyl)phenyl]hexanoic acid Traditional Name: 6-[4-[5-amyl-2-(2-pyrimidyl)phenyl]phenyl]hexanoic acid Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2/c1-2-3-5-10-22-14-17-24(27-28-18-8-19-29-27)25(20-22)23-15-12-21(13-16-23)9-6-4-7-11-26(30)31/h8,12-20H,2-7,9-11H2,1H3,(H,30,31)