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

Systemtic Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] hexanoate Openeye Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] hexanoate CAS Name: hexanoic acid [4-[2-(4-pentylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-pentylphenyl)pyrimidin-5-yl]phenyl] hexanoate Traditional Name: hexanoic acid [4-[2-(4-amylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C27H32N2O2 MolecularWeight: 416.55518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCC

InChI

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