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

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] tridecanoate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] tridecanoate CAS Name: tridecanoic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] tridecanoate Traditional Name: tridecanoic acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C33H52N2O3 MolecularWeight: 524.77758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCC(=O)OC1=CN=C(N=C1)C2=CC=C(C=C2)OCCCCCCCCCC

InChI

InChI=1S/C33H52N2O3/c1-3-5-7-9-11-13-14-15-17-19-21-32(36)38-31-27-34-33(35-28-31)29-22-24-30(25-23-29)37-26-20-18-16-12-10-8-6-4-2/h22-25,27-28H,3-21,26H2,1-2H3