[2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate

Systemtic Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Openeye Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate CAS Name: 7-cyclopentylheptanoic acid [2-[4-(4-hexylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Traditional Name: 7-cyclopentylenanthic acid [2-[4-(4-hexylphenyl)phenyl]pyrimidin-5-yl] ester 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)OC(=O)CCCCCCC4CCCC4

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCC4CCCC4

InChI

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