[4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] propanoate

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] propanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] propanoate CAS Name: propanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] propanoate Traditional Name: propionic acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C26H30N2O2 MolecularWeight: 402.5286

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CC

InChI

InChI=1S/C26H30N2O2/c1-3-5-6-7-8-9-20-10-12-22(13-11-20)26-27-18-23(19-28-26)21-14-16-24(17-15-21)30-25(29)4-2/h10-19H,3-9H2,1-2H3