8-[1-[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]octanoic acid

Systemtic Name: 8-[1-[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]octanoic acid Openeye Name: 8-[1-[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]octanoic acid CAS Name: 8-[1-[4-[4-(5-hexyl-2-pyrimidinyl)phenyl]phenyl]cyclopentyl]octanoic acid IUPAC Name: 8-[1-[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]octanoic acid Traditional Name: 8-[1-[4-[4-(5-hexylpyrimidin-2-yl)phenyl]phenyl]cyclopentyl]caprylic acid Formula: C35H46N2O2 MolecularWeight: 526.75194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)CCCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C4(CCCC4)CCCCCCCC(=O)O

InChI

InChI=1S/C35H46N2O2/c1-2-3-4-8-13-28-26-36-34(37-27-28)31-17-15-29(16-18-31)30-19-21-32(22-20-30)35(24-11-12-25-35)23-10-7-5-6-9-14-33(38)39/h15-22,26-27H,2-14,23-25H2,1H3,(H,38,39)