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

Systemtic Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate Openeye Name: [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate CAS Name: (E)-2-dodecenoic acid [2-[4-(5-acetyloxyhexyl)phenyl]-5-pyrimidinyl] ester IUPAC Name: [2-[4-(5-acetyloxyhexyl)phenyl]pyrimidin-5-yl] (E)-dodec-2-enoate Traditional Name: (E)-dodec-2-enoic acid [2-[4-(5-acetoxyhexyl)phenyl]pyrimidin-5-yl] ester Formula: C30H42N2O4 MolecularWeight: 494.66548

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H42N2O4/c1-4-5-6-7-8-9-10-11-12-17-29(34)36-28-22-31-30(32-23-28)27-20-18-26(19-21-27)16-14-13-15-24(2)35-25(3)33/h12,17-24H,4-11,13-16H2,1-3H3/b17-12+