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

Systemtic Name: 5-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoate Openeye Name: 5-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]pentanoate CAS Name: 5-[4-[5-heptyl-2-(2-pyrimidinyl)phenyl]phenyl]pentanoate IUPAC Name: 5-[4-(5-heptyl-2-pyrimidin-2-ylphenyl)phenyl]pentanoate Traditional Name: 5-[4-[5-heptyl-2-(2-pyrimidyl)phenyl]phenyl]valerate Formula: C28H33N2O2- MolecularWeight: 429.57382

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCCC(=O)[O-]

Isomeric SMILES

CCCCCCCC1=CC(=C(C=C1)C2=NC=CC=N2)C3=CC=C(C=C3)CCCCC(=O)[O-]

InChI

InChI=1S/C28H34N2O2/c1-2-3-4-5-6-11-23-15-18-25(28-29-19-9-20-30-28)26(21-23)24-16-13-22(14-17-24)10-7-8-12-27(31)32/h9,13-21H,2-8,10-12H2,1H3,(H,31,32)/p-1