[4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate

Systemtic Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Openeye Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate CAS Name: 8-methyldecanoic acid [4-[2-(4-decoxyphenyl)-5-pyrimidinyl]phenyl] ester IUPAC Name: [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] 8-methyldecanoate Traditional Name: 8-methylcapric acid [4-[2-(4-decoxyphenyl)pyrimidin-5-yl]phenyl] ester Formula: C37H52N2O3 MolecularWeight: 572.82038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)C3=CC=C(C=C3)OC(=O)CCCCCCC(C)CC

InChI

InChI=1S/C37H52N2O3/c1-4-6-7-8-9-10-13-16-27-41-34-23-21-32(22-24-34)37-38-28-33(29-39-37)31-19-25-35(26-20-31)42-36(40)18-15-12-11-14-17-30(3)5-2/h19-26,28-30H,4-18,27H2,1-3H3