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

Systemtic Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 7-methyldecanoate Openeye Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 7-methyldecanoate CAS Name: 7-methyldecanoic acid [4-[2-(4-heptylphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] 7-methyldecanoate Traditional Name: 7-methylcapric acid [4-[2-(4-heptylphenyl)pyrimidin-5-yl]phenyl] ester Formula: C34H46N2O2 MolecularWeight: 514.74124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CCC

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCC(C)CCC

InChI

InChI=1S/C34H46N2O2/c1-4-6-7-8-11-15-28-17-19-30(20-18-28)34-35-25-31(26-36-34)29-21-23-32(24-22-29)38-33(37)16-12-9-10-14-27(3)13-5-2/h17-27H,4-16H2,1-3H3