1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate

Systemtic Name: 1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Openeye Name: [2-[4-(5-heptylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] pentanoate CAS Name: pentanoic acid 1-[4-(5-heptyl-2-pyrimidinyl)phenyl]propan-2-yl ester IUPAC Name: 1-[4-(5-heptylpyrimidin-2-yl)phenyl]propan-2-yl pentanoate Traditional Name: valeric acid [2-[4-(5-heptylpyrimidin-2-yl)phenyl]-1-methyl-ethyl] 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)CC(C)OC(=O)CCCC

Isomeric SMILES

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

InChI

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