[2-(4-undecoxyphenyl)pyrimidin-5-yl] hexanoate

Systemtic Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] hexanoate Openeye Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] hexanoate CAS Name: hexanoic acid [2-(4-undecoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-undecoxyphenyl)pyrimidin-5-yl] hexanoate Traditional Name: hexanoic acid [2-(4-undecoxyphenyl)pyrimidin-5-yl] ester Formula: C27H40N2O3 MolecularWeight: 440.6181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

Isomeric SMILES

CCCCCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCC

InChI

InChI=1S/C27H40N2O3/c1-3-5-7-8-9-10-11-12-14-20-31-24-18-16-23(17-19-24)27-28-21-25(22-29-27)32-26(30)15-13-6-4-2/h16-19,21-22H,3-15,20H2,1-2H3