4-[4-[5-[(E)-oct-1-enoxy]pyrimidin-2-yl]phenyl]butan-2-yl propanoate

Systemtic Name: 4-[4-[5-[(E)-oct-1-enoxy]pyrimidin-2-yl]phenyl]butan-2-yl propanoate Openeye Name: [1-methyl-3-[4-[5-[(E)-oct-1-enoxy]pyrimidin-2-yl]phenyl]propyl] propanoate CAS Name: propanoic acid 4-[4-[5-[(E)-oct-1-enoxy]-2-pyrimidinyl]phenyl]butan-2-yl ester IUPAC Name: 4-[4-[5-[(E)-oct-1-enoxy]pyrimidin-2-yl]phenyl]butan-2-yl propanoate Traditional Name: propionic acid [1-methyl-3-[4-[5-[(E)-oct-1-enoxy]pyrimidin-2-yl]phenyl]propyl] ester Formula: C25H34N2O3 MolecularWeight: 410.54906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC=COC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

Isomeric SMILES

CCCCCC/C=C/OC1=CN=C(N=C1)C2=CC=C(C=C2)CCC(C)OC(=O)CC

InChI

InChI=1S/C25H34N2O3/c1-4-6-7-8-9-10-17-29-23-18-26-25(27-19-23)22-15-13-21(14-16-22)12-11-20(3)30-24(28)5-2/h10,13-20H,4-9,11-12H2,1-3H3/b17-10+