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

Systemtic Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-decoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-decoxyphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-decoxyphenyl)pyrimidin-5-yl] ester Formula: C32H50N2O3 MolecularWeight: 510.751

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H50N2O3/c1-3-5-7-9-11-13-14-16-18-20-31(35)37-30-26-33-32(34-27-30)28-21-23-29(24-22-28)36-25-19-17-15-12-10-8-6-4-2/h21-24,26-27H,3-20,25H2,1-2H3