6-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate

Systemtic Name: 6-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate Openeye Name: 6-[4-(5-heptyl-2-pyrimidin-2-yl-phenyl)phenyl]hexanoate CAS Name: 6-[4-[5-heptyl-2-(2-pyrimidinyl)phenyl]phenyl]hexanoate IUPAC Name: 6-[4-(5-heptyl-2-pyrimidin-2-ylphenyl)phenyl]hexanoate Traditional Name: 6-[4-[5-heptyl-2-(2-pyrimidyl)phenyl]phenyl]hexanoate Formula: C29H35N2O2- MolecularWeight: 443.6004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H36N2O2/c1-2-3-4-5-7-12-24-16-19-26(29-30-20-10-21-31-29)27(22-24)25-17-14-23(15-18-25)11-8-6-9-13-28(32)33/h10,14-22H,2-9,11-13H2,1H3,(H,32,33)/p-1