[2-(4-octoxyphenyl)pyrimidin-5-yl] heptanoate

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] heptanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] heptanoate CAS Name: heptanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] heptanoate Traditional Name: enanthic acid [2-(4-octoxyphenyl)pyrimidin-5-yl] ester Formula: C25H36N2O3 MolecularWeight: 412.56494

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=NC=C(C=N2)OC(=O)CCCCCC

InChI

InChI=1S/C25H36N2O3/c1-3-5-7-9-10-12-18-29-22-16-14-21(15-17-22)25-26-19-23(20-27-25)30-24(28)13-11-8-6-4-2/h14-17,19-20H,3-13,18H2,1-2H3