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

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C33H52N2O3 MolecularWeight: 524.77758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C33H52N2O3/c1-3-5-7-9-11-13-14-16-18-20-26-37-30-24-22-29(23-25-30)33-34-27-31(28-35-33)38-32(36)21-19-17-15-12-10-8-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3