7-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid

Systemtic Name: 7-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid Openeye Name: 7-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid CAS Name: 7-[1-[2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl]cyclopentyl]heptanoic acid IUPAC Name: 7-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid Traditional Name: 7-[1-[2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]enanthic acid Formula: C35H46N2O2 MolecularWeight: 526.75194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCC(=O)O

InChI

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