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

Systemtic Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate Openeye Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate CAS Name: (E)-3-dodecenoic acid [2-[4-[5-(1-oxopropoxy)hexyl]phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-propanoyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-3-enoate Traditional Name: (E)-dodec-3-enoic acid [2-[4-(5-propionyloxyhexyl)phenyl]pyrimidin-5-yl] ester Formula: C31H44N2O4 MolecularWeight: 508.69206

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H44N2O4/c1-4-6-7-8-9-10-11-12-13-18-30(35)37-28-23-32-31(33-24-28)27-21-19-26(20-22-27)17-15-14-16-25(3)36-29(34)5-2/h12-13,19-25H,4-11,14-18H2,1-3H3/b13-12+