[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate

Systemtic Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Openeye Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C35H46N2O2 MolecularWeight: 526.75194

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C35H46N2O2/c1-2-3-4-8-14-29-18-20-30(21-19-29)31-22-24-32(25-23-31)35-36-26-33(27-37-35)39-34(38)17-10-7-5-6-9-13-28-15-11-12-16-28/h18-28H,2-17H2,1H3