[2-(5-octylpyrimidin-2-yl)phenyl] heptanoate

Systemtic Name: [2-(5-octylpyrimidin-2-yl)phenyl] heptanoate Openeye Name: [2-(5-octylpyrimidin-2-yl)phenyl] heptanoate CAS Name: heptanoic acid [2-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [2-(5-octylpyrimidin-2-yl)phenyl] heptanoate Traditional Name: enanthic acid [2-(5-octylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)CCCCCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=CC=C2OC(=O)CCCCCC

InChI

InChI=1S/C25H36N2O2/c1-3-5-7-9-10-11-15-21-19-26-25(27-20-21)22-16-13-14-17-23(22)29-24(28)18-12-8-6-4-2/h13-14,16-17,19-20H,3-12,15,18H2,1-2H3