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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O3 MolecularWeight: 468.67126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

Isomeric SMILES

CCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCC

InChI

InChI=1S/C29H44N2O3/c1-3-5-7-9-11-12-13-15-17-28(32)34-27-23-30-29(31-24-27)25-18-20-26(21-19-25)33-22-16-14-10-8-6-4-2/h18-21,23-24H,3-17,22H2,1-2H3