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

Systemtic Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-dodecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecoxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-lauryloxyphenyl)pyrimidin-5-yl] ester Formula: C35H56N2O3 MolecularWeight: 552.83074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCCCC

InChI

InChI=1S/C35H56N2O3/c1-3-5-7-9-11-13-15-17-19-21-23-34(38)40-33-29-36-35(37-30-33)31-24-26-32(27-25-31)39-28-22-20-18-16-14-12-10-8-6-4-2/h24-27,29-30H,3-23,28H2,1-2H3