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

Systemtic Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate Openeye Name: [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate CAS Name: (E)-2-nonenoic acid [2-[4-(5-acetyloxyhexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-non-2-enoate Traditional Name: (E)-non-2-enoic acid [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-5-6-7-8-9-14-26(31)33-25-19-28-27(29-20-25)24-17-15-23(16-18-24)13-11-10-12-21(2)32-22(3)30/h9,14-21H,4-8,10-13H2,1-3H3/b14-9+