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

Systemtic Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Openeye Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [2-[4-(4-pentylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-pentylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [2-[4-(4-amylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C34H44N2O2 MolecularWeight: 512.72536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C34H44N2O2/c1-2-3-7-12-28-17-19-29(20-18-28)30-21-23-31(24-22-30)34-35-25-32(26-36-34)38-33(37)16-9-6-4-5-8-13-27-14-10-11-15-27/h17-27H,2-16H2,1H3