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

Systemtic Name: 7-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid Openeye Name: 7-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid CAS Name: 7-[1-[2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl]cyclopentyl]heptanoic acid IUPAC Name: 7-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]heptanoic acid Traditional Name: 7-[1-[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl]cyclopentyl]enanthic acid Formula: C34H44N2O2 MolecularWeight: 512.72536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCC(=O)O

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)C4(CCCC4)CCCCCCC(=O)O

InChI

InChI=1S/C34H44N2O2/c1-2-3-4-7-12-27-14-16-28(17-15-27)29-18-20-30(21-19-29)33-35-25-31(26-36-33)34(23-10-11-24-34)22-9-6-5-8-13-32(37)38/h14-21,25-26H,2-13,22-24H2,1H3,(H,37,38)