6-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate

Systemtic Name: 6-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Openeye Name: 6-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate CAS Name: 6-[1-[2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl]cyclopentyl]hexanoate IUPAC Name: 6-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Traditional Name: 6-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]hexanoate Formula: C33H41N2O2- MolecularWeight: 497.69084

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)C4(CCCC4)CCCCCC(=O)[O-]

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCC(=O)[O-]

InChI

InChI=1S/C33H42N2O2/c1-2-3-4-6-11-26-13-15-27(16-14-26)28-17-19-29(20-18-28)32-34-24-30(25-35-32)33(22-9-10-23-33)21-8-5-7-12-31(36)37/h13-20,24-25H,2-12,21-23H2,1H3,(H,36,37)/p-1