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

Systemtic Name: [2-(4-heptylphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-heptylphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-heptylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-heptylphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-heptylphenyl)pyrimidin-5-yl] ester Formula: C29H44N2O2 MolecularWeight: 452.67186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H44N2O2/c1-3-5-7-9-10-11-12-14-16-18-28(32)33-27-23-30-29(31-24-27)26-21-19-25(20-22-26)17-15-13-8-6-4-2/h19-24H,3-18H2,1-2H3