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

Systemtic Name: 2-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]ethanoate Openeye Name: 2-[4-(5-octyl-2-pyrimidin-2-yl-phenyl)phenyl]acetate CAS Name: 2-[4-[5-octyl-2-(2-pyrimidinyl)phenyl]phenyl]acetate IUPAC Name: 2-[4-(5-octyl-2-pyrimidin-2-ylphenyl)phenyl]acetate Traditional Name: 2-[4-[5-octyl-2-(2-pyrimidyl)phenyl]phenyl]acetate Formula: C26H29N2O2- MolecularWeight: 401.52066

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CC(=O)[O-]

InChI

InChI=1S/C26H30N2O2/c1-2-3-4-5-6-7-9-20-12-15-23(26-27-16-8-17-28-26)24(18-20)22-13-10-21(11-14-22)19-25(29)30/h8,10-18H,2-7,9,19H2,1H3,(H,29,30)/p-1