[4-(5-octylpyrimidin-2-yl)phenyl] 2-ethylpentanoate

Systemtic Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Openeye Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-ethylpentanoate CAS Name: 2-ethylpentanoic acid [4-(5-octyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-octylpyrimidin-2-yl)phenyl] 2-ethylpentanoate Traditional Name: 2-ethylvaleric acid [4-(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=C(C=C2)OC(=O)C(CC)CCC

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CC)CCC

InChI

InChI=1S/C25H36N2O2/c1-4-7-8-9-10-11-13-20-18-26-24(27-19-20)22-14-16-23(17-15-22)29-25(28)21(6-3)12-5-2/h14-19,21H,4-13H2,1-3H3