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

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] butanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] butanoate CAS Name: butanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] butanoate Traditional Name: butyric acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H32N2O2/c1-3-5-6-7-8-10-21-11-13-23(14-12-21)27-28-19-24(20-29-27)22-15-17-25(18-16-22)31-26(30)9-4-2/h11-20H,3-10H2,1-2H3