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

Systemtic Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] undecanoate Openeye Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] undecanoate CAS Name: undecanoic acid [2-(4-dodecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] undecanoate Traditional Name: undecanoic acid [2-(4-laurylphenyl)pyrimidin-5-yl] ester Formula: C33H52N2O2 MolecularWeight: 508.77818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCCCCCC

InChI

InChI=1S/C33H52N2O2/c1-3-5-7-9-11-13-14-15-17-19-21-29-23-25-30(26-24-29)33-34-27-31(28-35-33)37-32(36)22-20-18-16-12-10-8-6-4-2/h23-28H,3-22H2,1-2H3