[2-(4-octylphenyl)pyrimidin-5-yl] dodecanoate

Systemtic Name: [2-(4-octylphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-octylphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-octylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octylphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-octylphenyl)pyrimidin-5-yl] ester Formula: C30H46N2O2 MolecularWeight: 466.69844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCC

Isomeric SMILES

CCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)CCCCCCCC

InChI

InChI=1S/C30H46N2O2/c1-3-5-7-9-11-12-13-15-17-19-29(33)34-28-24-31-30(32-25-28)27-22-20-26(21-23-27)18-16-14-10-8-6-4-2/h20-25H,3-19H2,1-2H3