[2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate

Systemtic Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate Openeye Name: [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate CAS Name: (E)-2-octenoic acid [2-[4-(5-acetyloxyhexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-2-enoate Traditional Name: (E)-oct-2-enoic acid [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] ester Formula: C26H34N2O4 MolecularWeight: 438.55916

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H34N2O4/c1-4-5-6-7-8-13-25(30)32-24-18-27-26(28-19-24)23-16-14-22(15-17-23)12-10-9-11-20(2)31-21(3)29/h8,13-20H,4-7,9-12H2,1-3H3/b13-8+