[2-(4-dodecoxyphenyl)pyrimidin-5-yl] octanoate

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] octanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] octanoate CAS Name: octanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] octanoate Traditional Name: caprylic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C30H46N2O3 MolecularWeight: 482.69784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

Isomeric SMILES

CCCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCC

InChI

InChI=1S/C30H46N2O3/c1-3-5-7-9-10-11-12-13-15-17-23-34-27-21-19-26(20-22-27)30-31-24-28(25-32-30)35-29(33)18-16-14-8-6-4-2/h19-22,24-25H,3-18,23H2,1-2H3