2-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoic acid

Systemtic Name: 2-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoic acid Openeye Name: 2-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]acetic acid CAS Name: 2-[4-[5-heptyl-2-(2-pyrimidinyl)phenyl]phenyl]acetic acid IUPAC Name: 2-[4-(5-heptyl-2-pyrimidin-2-ylphenyl)phenyl]acetic acid Traditional Name: 2-[4-[5-heptyl-2-(2-pyrimidyl)phenyl]phenyl]acetic acid Formula: C25H28N2O2 MolecularWeight: 388.50202

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)O

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)O

InChI

InChI=1S/C25H28N2O2/c1-2-3-4-5-6-8-19-11-14-22(25-26-15-7-16-27-25)23(17-19)21-12-9-20(10-13-21)18-24(28)29/h7,9-17H,2-6,8,18H2,1H3,(H,28,29)