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

Systemtic Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] dodecanoate Openeye Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] dodecanoate CAS Name: dodecanoic acid [2-(4-hexoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-hexoxyphenyl)pyrimidin-5-yl] dodecanoate Traditional Name: lauric acid [2-(4-hexoxyphenyl)pyrimidin-5-yl] ester Formula: C28H42N2O3 MolecularWeight: 454.64468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H42N2O3/c1-3-5-7-9-10-11-12-13-14-16-27(31)33-26-22-29-28(30-23-26)24-17-19-25(20-18-24)32-21-15-8-6-4-2/h17-20,22-23H,3-16,21H2,1-2H3