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

Systemtic Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-dodecylphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-dodecylphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-laurylphenyl)pyrimidin-5-yl] ester Formula: C35H56N2O2 MolecularWeight: 536.83134

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H56N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-31-25-27-32(28-26-31)35-36-29-33(30-37-35)39-34(38)24-22-20-18-16-14-12-10-8-6-4-2/h25-30H,3-24H2,1-2H3