[2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate

Systemtic Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Openeye Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate CAS Name: (E)-3-octenoic acid [2-[4-[5-(1-oxopropoxy)hexyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-oct-3-enoate Traditional Name: (E)-oct-3-enoic acid [2-[4-(5-propionyloxyhexyl)phenyl]pyrimidin-5-yl] ester Formula: C27H36N2O4 MolecularWeight: 452.58574

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O4/c1-4-6-7-8-9-14-26(31)33-24-19-28-27(29-20-24)23-17-15-22(16-18-23)13-11-10-12-21(3)32-25(30)5-2/h8-9,15-21H,4-7,10-14H2,1-3H3/b9-8+