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

Systemtic Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Openeye Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate CAS Name: 8-cyclopentyloctanoic acid [2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 8-cyclopentyloctanoate Traditional Name: 8-cyclopentylcaprylic acid [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C36H48N2O2 MolecularWeight: 540.77852

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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)OC(=O)CCCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCCC4CCCC4

InChI

InChI=1S/C36H48N2O2/c1-2-3-4-6-9-15-30-19-21-31(22-20-30)32-23-25-33(26-24-32)36-37-27-34(28-38-36)40-35(39)18-11-8-5-7-10-14-29-16-12-13-17-29/h19-29H,2-18H2,1H3