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

Systemtic Name: 2-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoate Openeye Name: 2-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]acetate CAS Name: 2-[4-[5-heptyl-2-(2-pyrimidinyl)phenyl]phenyl]acetate IUPAC Name: 2-[4-(5-heptyl-2-pyrimidin-2-ylphenyl)phenyl]acetate Traditional Name: 2-[4-[5-heptyl-2-(2-pyrimidyl)phenyl]phenyl]acetate Formula: C25H27N2O2- MolecularWeight: 387.49408

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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)/p-1