[4-(5-heptylpyrimidin-2-yl)phenyl] 2-propylpentanoate

Systemtic Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-propylpentanoate Openeye Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-propylpentanoate CAS Name: 2-propylpentanoic acid [4-(5-heptyl-2-pyrimidinyl)phenyl] ester IUPAC Name: [4-(5-heptylpyrimidin-2-yl)phenyl] 2-propylpentanoate Traditional Name: 2-propylvaleric acid [4-(5-heptylpyrimidin-2-yl)phenyl] ester Formula: C25H36N2O2 MolecularWeight: 396.56554

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CCC)CCC

Isomeric SMILES

CCCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OC(=O)C(CCC)CCC

InChI

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