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

Systemtic Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Openeye Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate CAS Name: 7-cyclopentylheptanoic acid [2-[4-(4-heptylphenyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] 7-cyclopentylheptanoate Traditional Name: 7-cyclopentylenanthic acid [2-[4-(4-heptylphenyl)phenyl]pyrimidin-5-yl] ester Formula: C35H46N2O2 MolecularWeight: 526.75194

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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)CCCCCCC4CCCC4

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=CC=C(C=C2)C3=NC=C(C=N3)OC(=O)CCCCCCC4CCCC4

InChI

InChI=1S/C35H46N2O2/c1-2-3-4-5-8-14-29-18-20-30(21-19-29)31-22-24-32(25-23-31)35-36-26-33(27-37-35)39-34(38)17-10-7-6-9-13-28-15-11-12-16-28/h18-28H,2-17H2,1H3