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

Systemtic Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Openeye Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate CAS Name: 4-methylhexanoic acid [2-(4-octoxyphenyl)-5-pyrimidinyl] ester IUPAC Name: [2-(4-octoxyphenyl)pyrimidin-5-yl] 4-methylhexanoate Traditional Name: 4-methylhexanoic 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)CCC(C)CC

Isomeric SMILES

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

InChI

InChI=1S/C25H36N2O3/c1-4-6-7-8-9-10-17-29-22-14-12-21(13-15-22)25-26-18-23(19-27-25)30-24(28)16-11-20(3)5-2/h12-15,18-20H,4-11,16-17H2,1-3H3