[4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate

Systemtic Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate Openeye Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate CAS Name: 9-cyclopentylnonanoic acid [4-[4-(5-heptyl-2-pyrimidinyl)phenyl]phenyl] ester IUPAC Name: [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] 9-cyclopentylnonanoate Traditional Name: 9-cyclopentylpelargonic acid [4-[4-(5-heptylpyrimidin-2-yl)phenyl]phenyl] ester Formula: C37H50N2O2 MolecularWeight: 554.8051

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)OC(=O)CCCCCCCCC4CCCC4

InChI

InChI=1S/C37H50N2O2/c1-2-3-4-7-11-18-31-28-38-37(39-29-31)34-22-20-32(21-23-34)33-24-26-35(27-25-33)41-36(40)19-12-9-6-5-8-10-15-30-16-13-14-17-30/h20-30H,2-19H2,1H3