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

Systemtic Name: 4-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoate Openeye Name: 4-[4-(5-pentyl-2-pyrimidin-2-yl-phenyl)phenyl]butanoate CAS Name: 4-[4-[5-pentyl-2-(2-pyrimidinyl)phenyl]phenyl]butanoate IUPAC Name: 4-[4-(5-pentyl-2-pyrimidin-2-ylphenyl)phenyl]butanoate Traditional Name: 4-[4-[5-amyl-2-(2-pyrimidyl)phenyl]phenyl]butyrate Formula: C25H27N2O2- MolecularWeight: 387.49408

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)[O-]

Isomeric SMILES

CCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCC(=O)[O-]

InChI

InChI=1S/C25H28N2O2/c1-2-3-4-7-20-12-15-22(25-26-16-6-17-27-25)23(18-20)21-13-10-19(11-14-21)8-5-9-24(28)29/h6,10-18H,2-5,7-9H2,1H3,(H,28,29)/p-1